N069-0081 Screening compound: (10Z)-10-[(furan-2-yl)methylidene]-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

N069-0081 Screening compound: (10Z)-10-[(furan-2-yl)methylidene]-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
N069-0081 Screening compound: (10Z)-10-[(furan-2-yl)methylidene]-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound N069-0081
(10Z)-10-[(furan-2-yl)methylidene]-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic 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

N069-0081

Molecular Formula

C35H48O4 (C35 H48 O4)

Compound Name

(10Z)-10-[(furan-2-yl)methylidene]-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

IUPAC name

(1R5aR5bR10Z11aR)-10-[(furan-2-yl)methylidene]-5a5b8811a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

SMILES

CC(C)(C(CC1)[C@@](C)(C/C2=C/c3ccco3)C(CC3)[C@@]1(C)[C@@](C)(CC1)C3C([C@H](CC3)C(C)=C)C13C(O)=O)C2=O

InChI

InChI=1S/C35H48O4/c1-21(2)24-12-15-35(30(37)38)17-16-33(6)25(28(24)35)10-11-27-32(5)20-22(19-23-9-8-18-39-23)29(36)31(3,4)26(32)13-14-34(27,33)7/h8-9,18-19,24-28H,1,10-17,20H2,2-7H3,(H,37,38)/t24-,25?,26?,27?,28?,32-,33+,34+,35?/m1/s1

InChI Key

OAZAZBRWAMEGCZ-YHHIIZFPSA-N

MDL Number (MFCD)

MFCD02058765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.76

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.567

Distribution Coefficient, logD

5.431

Water Solubility, LogSw

-5.91

Polar Surface Area

49.511

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

9.00

Percent sp3 carbon bonding

71.40

N069-0081 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with N069-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N069-0081?
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What is the minimum amount of N069-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N069-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N069-0081
  • 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 N069-0081 available by request