0242-0977 Screening compound: 5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl tridecanoate

0242-0977 Screening compound: 5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl tridecanoate
0242-0977 Screening compound: 5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl tridecanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0977
5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl tridecanoate

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

0242-0977

Molecular Formula

C40H70Br2O2 (C40 H70 Br2 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C40H70Br2O2/c1-7-8-9-10-11-12-13-14-15-16-20-37(43)44-31-23-26-39(6)35-24-25-38(5)33(30(4)19-17-18-29(2)3)21-22-34(38)32(35)27-36(41)40(39,42)28-31/h29-36H,7-28H2,1-6H3

InChI Key

MPDRBMWFDJELIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00307646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

742.8

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

13.859

Distribution Coefficient, logD

13.859

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

97.50

0242-0977 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 0242-0977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0977?
Check Price and Availability of 0242-0977, 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 0242-0977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0977
  • 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 0242-0977 available by request