1522-0108 Screening compound: 5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl decanoate

1522-0108 Screening compound: 5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl decanoate
1522-0108 Screening compound: 5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl decanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1522-0108
5,5a-dibromo-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl decanoate

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

1522-0108

Molecular Formula

C37H64Br2O2 (C37 H64 Br2 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C37H64Br2O2/c1-7-8-9-10-11-12-13-17-34(40)41-28-20-23-36(6)32-21-22-35(5)30(27(4)16-14-15-26(2)3)18-19-31(35)29(32)24-33(38)37(36,39)25-28/h26-33H,7-25H2,1-6H3

InChI Key

JTGHSJQVBHQKPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00524959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

700.72

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

12.372

Distribution Coefficient, logD

12.372

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

97.30

1522-0108 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 1522-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1522-0108?
Check Price and Availability of 1522-0108, 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 1522-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1522-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1522-0108
  • 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 1522-0108 available by request