2516-2936 Screening compound: (2E)-2-[(3-bromophenyl)methylidene]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol

2516-2936 Screening compound: (2E)-2-[(3-bromophenyl)methylidene]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
2516-2936 Screening compound: (2E)-2-[(3-bromophenyl)methylidene]-9a,11a-dimethyl-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 2516-2936
(2E)-2-[(3-bromophenyl)methylidene]-9a,11a-dimethyl-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

2516-2936

Molecular Formula

C26H33BrO2 (C26 H33 BrO2)

Compound Name

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

IUPAC name

(2E)-2-[(3-bromophenyl)methylidene]-9a11a-dimethyl-1H2H3H3aH3bH4H6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthrene-17-diol

SMILES

CC(CC1)(C(C/C2=C\c3cccc(Br)c3)C3C1C(C)(CCC(C1)O)C1=CC3)C2O

InChI

InChI=1S/C26H33BrO2/c1-25-10-8-20(28)15-18(25)6-7-21-22(25)9-11-26(2)23(21)14-17(24(26)29)12-16-4-3-5-19(27)13-16/h3-6,12-13,20-24,28-29H,7-11,14-15H2,1-2H3

InChI Key

HBGRYFKULLZJCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01624212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.941

Distribution Coefficient, logD

5.941

Water Solubility, LogSw

-5.92

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

61.50

2516-2936 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 2516-2936 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2516-2936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2516-2936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2516-2936
  • 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 2516-2936 available by request