0242-0976 Screening compound: 5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl heptanoate

0242-0976 Screening compound: 5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl heptanoate
0242-0976 Screening compound: 5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl heptanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0976
5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl heptanoate

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

0242-0976

Molecular Formula

C34H58Br2O2 (C34 H58 Br2 O2)

Compound Name

5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl heptanoate

IUPAC name

55a-dibromo-9a11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl heptanoate

SMILES

CCCCCCC(OC(CCC1(C)C(CC2)C(CC3Br)C(CC4)C2(C)C4C(C)CCCC(C)C)CC13Br)=O

InChI

InChI=1S/C34H58Br2O2/c1-7-8-9-10-14-31(37)38-25-17-20-33(6)29-18-19-32(5)27(24(4)13-11-12-23(2)3)15-16-28(32)26(29)21-30(35)34(33,36)22-25/h23-30H,7-22H2,1-6H3

InChI Key

PDBJUWKMSORENK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00307645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

658.64

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

10.884

Distribution Coefficient, logD

10.884

Water Solubility, LogSw

-5.95

Polar Surface Area

20.127

Acid Dissociation Constant (pKa)

24.67

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

10.00

Percent sp3 carbon bonding

97.10

0242-0976 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 0242-0976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0976?
Check Price and Availability of 0242-0976, 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 0242-0976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0976
  • 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 0242-0976 available by request