N016-0045 Screening compound: methyl 10-{[6-(hydrazinecarbonyl)-3-{[6-(hydrazinecarbonyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate

N016-0045 Screening compound: methyl 10-{[6-(hydrazinecarbonyl)-3-{[6-(hydrazinecarbonyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate
N016-0045 Screening compound: methyl 10-{[6-(hydrazinecarbonyl)-3-{[6-(hydrazinecarbonyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound N016-0045
methyl 10-{[6-(hydrazinecarbonyl)-3-{[6-(hydrazinecarbonyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

N016-0045

Molecular Formula

C43H68N4O14 (C43 H68 N4 O14)

Compound Name

methyl 10-{[6-(hydrazinecarbonyl)-3-{[6-(hydrazinecarbonyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate

IUPAC name

methyl (2S4aS6aS6bR12aS)-10-{[6-(hydrazinecarbonyl)-3-{[6-(hydrazinecarbonyl)-345-trihydroxyoxan-2-yl]oxy}-45-dihydroxyoxan-2-yl]oxy}-24a6a6b9912a-heptamethyl-13-oxo-12344a566a6b788a910111212a12b1314b-icosahydropicene-2-carboxylate

SMILES

CC(C)(C(CC[C@@]1(C)[C@](C)(CC[C@@](C)(CC2)C3C[C@@]2(C)C(OC)=O)C3=C2)[C@](C)(CC3)C1C2=O)C3OC(C(C(C1O)O)OC(C(C(C2O)O)O)OC2C(NN)=O)OC1C(NN)=O

InChI

InChI=1S/C43H68N4O14/c1-38(2)22-9-12-43(7)32(21(48)17-19-20-18-40(4,37(56)57-8)14-13-39(20,3)15-16-42(19,43)6)41(22,5)11-10-23(38)58-36-31(27(52)26(51)30(60-36)34(55)47-45)61-35-28(53)24(49)25(50)29(59-35)33(54)46-44/h17,20,22-32,35-36,49-53H,9-16,18,44-45H2,1-8H3,(H,46,54)(H,47,55)/t20?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,35?,36?,39-,40+,41+,42-,43-/m1/s1

InChI Key

PQBITFIHFKWRFS-CFEQAHMKSA-N

MDL Number (MFCD)

MFCD00808505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

865.03

Hydrogen Bond Acceptors Count

20.00

Hydrogen Bond Donors Count

11.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

18

Partition Coefficient, logP

0.658

Distribution Coefficient, logD

0.658

Water Solubility, LogSw

-1.69

Polar Surface Area

240.695

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

19.00

Percent sp3 carbon bonding

86.00

N016-0045 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with N016-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N016-0045?
Check Price and Availability of N016-0045, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of N016-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N016-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N016-0045
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of N016-0045 available by request