8004-7661 Screening compound: (17{R})-17-hydroxy-10,13-dimethylhexadecahydrospiro[cyclopenta[{a}]phenanthrene-3,2'-[1,3]dioxolane]-17-carbonitrile

8004-7661 Screening compound: (17{R})-17-hydroxy-10,13-dimethylhexadecahydrospiro[cyclopenta[{a}]phenanthrene-3,2'-[1,3]dioxolane]-17-carbonitrile
8004-7661 Screening compound: (17{R})-17-hydroxy-10,13-dimethylhexadecahydrospiro[cyclopenta[{a}]phenanthrene-3,2'-[1,3]dioxolane]-17-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-7661
(17{R})-17-hydroxy-10,13-dimethylhexadecahydrospiro[cyclopenta[{a}]phenanthrene-3,2'-[1,3]dioxolane]-17-carbonitrile

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

8004-7661

Molecular Formula

C22H33NO3 (C22 H33 NO3)

Compound Name

(17{R})-17-hydroxy-10,13-dimethylhexadecahydrospiro[cyclopenta[{a}]phenanthrene-3,2'-[1,3]dioxolane]-17-carbonitrile

IUPAC name

(1R)-1-hydroxy-9a11a-dimethyl-hexadecahydrospiro[cyclopenta[a]phenanthrene-72'-[13]dioxolane]-1-carbonitrile

SMILES

CC(CC1)(C(CC2)C(CC3)C1C(C)(CC1)C3CC11OCCO1)C2(C#N)O

InChI

InChI=1S/C22H33NO3/c1-19-9-10-22(25-11-12-26-22)13-15(19)3-4-16-17(19)5-7-20(2)18(16)6-8-21(20,24)14-23/h15-18,24H,3-13H2,1-2H3/t15?,16?,17?,18?,19?,20?,21-/m1/s1

InChI Key

OOLWTOWNVAYEQM-ILZKQPLKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.786

Distribution Coefficient, logD

3.786

Water Solubility, LogSw

-4.71

Polar Surface Area

47.518

Acid Dissociation Constant (pKa)

16.68

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

95.46

8004-7661 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8004-7661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-7661?
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What is the minimum amount of 8004-7661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-7661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-7661
  • 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 8004-7661 available by request