0242-0993 Screening compound: 5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 3-methylpentanoate

0242-0993 Screening compound: 5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 3-methylpentanoate
0242-0993 Screening compound: 5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 3-methylpentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0993
5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 3-methylpentanoate

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

0242-0993

Molecular Formula

C33H56Br2O2 (C33 H56 Br2 O2)

Compound Name

5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 3-methylpentanoate

IUPAC name

55a-dibromo-9a11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl 3-methylpentanoate

SMILES

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

InChI

InChI=1S/C33H56Br2O2/c1-8-22(4)18-30(36)37-24-14-17-32(7)28-15-16-31(6)26(23(5)11-9-10-21(2)3)12-13-27(31)25(28)19-29(34)33(32,35)20-24/h21-29H,8-20H2,1-7H3

InChI Key

MYLPOKATQGVMSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00307610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

644.61

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

10.142

Distribution Coefficient, logD

10.142

Water Solubility, LogSw

-5.92

Polar Surface Area

20.127

Acid Dissociation Constant (pKa)

24.72

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

11.00

Percent sp3 carbon bonding

97.00

0242-0993 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Glucocorticoid receptors Library (4806 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
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

References: we are preparing a list of scientific research reports with 0242-0993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0993?
Check Price and Availability of 0242-0993, 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 0242-0993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0993
  • 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 0242-0993 available by request