8016-6266 Screening compound: 5,6-dibromo-17-(1,5-dimethylhexyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl 3-chlorobutanoate

8016-6266 Screening compound: 5,6-dibromo-17-(1,5-dimethylhexyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl 3-chlorobutanoate
8016-6266 Screening compound: 5,6-dibromo-17-(1,5-dimethylhexyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl 3-chlorobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6266
5,6-dibromo-17-(1,5-dimethylhexyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl 3-chlorobutanoate

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

8016-6266

Molecular Formula

C31H51Br2ClO2 (C31 H51 Br2 ClO2)

Compound Name

5,6-dibromo-17-(1,5-dimethylhexyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl 3-chlorobutanoate

IUPAC name

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

SMILES

CC(C)CCCC(C)C(CC1)C(C)(CC2)C1C(CC1Br)C2C(C)(CCC(C2)OC(CC(C)Cl)=O)C12Br

InChI

InChI=1S/C31H51Br2ClO2/c1-19(2)8-7-9-20(3)24-10-11-25-23-17-27(32)31(33)18-22(36-28(35)16-21(4)34)12-15-30(31,6)26(23)13-14-29(24,25)5/h19-27H,7-18H2,1-6H3

InChI Key

XROACRVMHWKIOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00307599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

651.01

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

9.312

Distribution Coefficient, logD

9.312

Water Solubility, LogSw

-6.02

Polar Surface Area

20.127

Acid Dissociation Constant (pKa)

24.65

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

11.00

Percent sp3 carbon bonding

96.77

8016-6266 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8016-6266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6266?
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What is the minimum amount of 8016-6266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6266
  • 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 8016-6266 available by request