8015-7725 Screening compound: (3S,10R,13R,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 3,4,4-trichloro-3-butenoate

8015-7725 Screening compound: (3S,10R,13R,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 3,4,4-trichloro-3-butenoate
8015-7725 Screening compound: (3S,10R,13R,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 3,4,4-trichloro-3-butenoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-7725
(3S,10R,13R,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 3,4,4-trichloro-3-butenoate

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

8015-7725

Molecular Formula

C33H51Cl3O2 (C33 H51 Cl3 O2)

Compound Name

(3S,10R,13R,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 3,4,4-trichloro-3-butenoate

IUPAC name

(1R7S9aR11aR)-1-[(2R5S)-5-ethyl-6-methylheptan-2-yl]-9a11a-dimethyl-1H2H3H3aH3bH4H6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-yl 344-trichlorobut-3-enoate

SMILES

CC[C@H](CC[C@H](C)[C@H](CC1)[C@](C)(CC2)C1C1C2[C@](C)(CC[C@H](C2)OC(CC(Cl)=C(Cl)Cl)=O)C2=CC1)C(C)C

InChI

InChI=1S/C33H51Cl3O2/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(38-30(37)19-29(34)31(35)36)14-16-32(23,5)28(25)15-17-33(26,27)6/h10,20-22,24-28H,7-9,11-19H2,1-6H3/t21-,22+,24+,25?,26+,27?,28?,32+,33-/m0/s1

InChI Key

IODGZMMEGGOIKJ-CYGWUYDXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.12

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

10.320

Distribution Coefficient, logD

10.320

Water Solubility, LogSw

-6.57

Polar Surface Area

20.127

Acid Dissociation Constant (pKa)

22.08

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

9.00

Percent sp3 carbon bonding

84.85

8015-7725 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 8015-7725 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-7725
ChemDiv sends parcels with Express services (UPS, WC).
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  • 2–4 weeks for large selections
Delivery formats for 8015-7725
  • 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 8015-7725 available by request