8014-9884 Screening compound: (2E)-9a,11a-dimethyl-2-{[4-(trifluoromethyl)phenyl]methylidene}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol

8014-9884 Screening compound: (2E)-9a,11a-dimethyl-2-{[4-(trifluoromethyl)phenyl]methylidene}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
8014-9884 Screening compound: (2E)-9a,11a-dimethyl-2-{[4-(trifluoromethyl)phenyl]methylidene}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9884
(2E)-9a,11a-dimethyl-2-{[4-(trifluoromethyl)phenyl]methylidene}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol

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

8014-9884

Molecular Formula

C27H33F3O2 (C27 H33 F3 O2)

Compound Name

(2E)-9a,11a-dimethyl-2-{[4-(trifluoromethyl)phenyl]methylidene}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol

IUPAC name

(2E)-9a11a-dimethyl-2-{[4-(trifluoromethyl)phenyl]methylidene}-1H2H3H3aH3bH4H6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthrene-17-diol

SMILES

CC(CC1)(C(C/C2=C\c3ccc(C(F)(F)F)cc3)C3C1C(C)(CCC(C1)O)C1=CC3)C2O

InChI

InChI=1S/C27H33F3O2/c1-25-11-9-20(31)15-19(25)7-8-21-22(25)10-12-26(2)23(21)14-17(24(26)32)13-16-3-5-18(6-4-16)27(28,29)30/h3-7,13,20-24,31-32H,8-12,14-15H2,1-2H3

InChI Key

IVXHYDUXTYURSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03759646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.031

Distribution Coefficient, logD

6.031

Water Solubility, LogSw

-5.98

Polar Surface Area

31.518

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

63.00

8014-9884 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 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 8014-9884 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8014-9884 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9884
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9884
  • 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 8014-9884 available by request