N075-0014 Screening compound: methyl (5R,9R,13R,18R)-20-isopropyl-5,9-dimethyl-14,17-dioxopentacyclo[10.6.2.0~1,10~.0~4,9~.0~13,18~]icos-19-ene-5-carboxylate

N075-0014 Screening compound: methyl (5R,9R,13R,18R)-20-isopropyl-5,9-dimethyl-14,17-dioxopentacyclo[10.6.2.0~1,10~.0~4,9~.0~13,18~]icos-19-ene-5-carboxylate
N075-0014 Screening compound: methyl (5R,9R,13R,18R)-20-isopropyl-5,9-dimethyl-14,17-dioxopentacyclo[10.6.2.0~1,10~.0~4,9~.0~13,18~]icos-19-ene-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound N075-0014
methyl (5R,9R,13R,18R)-20-isopropyl-5,9-dimethyl-14,17-dioxopentacyclo[10.6.2.0~1,10~.0~4,9~.0~13,18~]icos-19-ene-5-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

N075-0014

Molecular Formula

C27H38O4 (C27 H38 O4)

Compound Name

methyl (5R,9R,13R,18R)-20-isopropyl-5,9-dimethyl-14,17-dioxopentacyclo[10.6.2.0~1,10~.0~4,9~.0~13,18~]icos-19-ene-5-carboxylate

IUPAC name

methyl (5R9R13R18R)-59-dimethyl-1417-dioxo-20-(propan-2-yl)pentacyclo[10.6.2.0^{110}.0^{49}.0^{1318}]icos-19-ene-5-carboxylate

SMILES

CC(C)C(C(CC1[C@](C)(CCC2)C(CC3)[C@@]2(C)C(OC)=O)[C@@H]2C(CC4)=O)=CC13[C@H]2C4=O

InChI

InChI=1S/C27H38O4/c1-15(2)17-14-27-12-9-20-25(3,10-6-11-26(20,4)24(30)31-5)21(27)13-16(17)22-18(28)7-8-19(29)23(22)27/h14-16,20-23H,6-13H2,1-5H3/t16?,20?,21?,22-,23+,25-,26+,27?/m1/s1

InChI Key

DCGMIQMNIOQACA-CLRDLHPPSA-N

MDL Number (MFCD)

MFCD02657300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.527

Distribution Coefficient, logD

4.527

Water Solubility, LogSw

-4.72

Polar Surface Area

47.783

Acid Dissociation Constant (pKa)

20.19

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

81.50

N075-0014 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with N075-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N075-0014?
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What is the minimum amount of N075-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N075-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N075-0014
  • 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 N075-0014 available by request