N072-0098 Screening compound: 4-{[(6aR,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethylicosahydro-2H-1,4a-(epoxymethano)picen-10-yl]oxy}-4-oxobutanoic acid

N072-0098 Screening compound: 4-{[(6aR,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethylicosahydro-2H-1,4a-(epoxymethano)picen-10-yl]oxy}-4-oxobutanoic acid
N072-0098 Screening compound: 4-{[(6aR,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethylicosahydro-2H-1,4a-(epoxymethano)picen-10-yl]oxy}-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound N072-0098
4-{[(6aR,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethylicosahydro-2H-1,4a-(epoxymethano)picen-10-yl]oxy}-4-oxobutanoic acid

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

N072-0098

Molecular Formula

C34H54O5 (C34 H54 O5)

Compound Name

4-{[(6aR,6bR,12aR)-2,2,6a,6b,9,9,12a-heptamethylicosahydro-2H-1,4a-(epoxymethano)picen-10-yl]oxy}-4-oxobutanoic acid

IUPAC name

4-{[(4R5R13R)-4599132020-heptamethyl-24-oxahexacyclo[17.3.2.0^{118}.0^{417}.0^{514}.0^{813}]tetracosan-10-yl]oxy}-4-oxobutanoic acid

SMILES

CC(C)(CC1)C2OCC1(CC1)C2C(CC2)[C@@]1(C)[C@@](C)(CC1)C2[C@](C)(CC2)C1C(C)(C)C2OC(CCC(O)=O)=O

InChI

InChI=1S/C34H54O5/c1-29(2)16-18-34-19-17-32(6)21(27(34)28(29)38-20-34)8-9-23-31(5)14-13-24(39-26(37)11-10-25(35)36)30(3,4)22(31)12-15-33(23,32)7/h21-24,27-28H,8-20H2,1-7H3,(H,35,36)/t21?,22?,23?,24?,27?,28?,31-,32+,33+,34?/m1/s1

InChI Key

VGKCTPZQAGVLMW-RGMGRZLVSA-N

MDL Number (MFCD)

MFCD02058667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.084

Distribution Coefficient, logD

2.814

Water Solubility, LogSw

-5.64

Polar Surface Area

57.667

Acid Dissociation Constant (pKa)

4.13

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

10.00

Percent sp3 carbon bonding

94.10

N072-0098 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Akt-Targeted Library (14764 compounds)

Natural Compounds Library (353 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Structure:
  • Cyclic compounds
Targets:
  • Kinases
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with N072-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N072-0098?
Check Price and Availability of N072-0098, 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 N072-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N072-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N072-0098
  • 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 N072-0098 available by request