8003-3963 Screening compound: methyl 1-cyano-9a,11a-dimethyl-1-[(trimethylsilyl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthrene-6-carboxylate

8003-3963 Screening compound: methyl 1-cyano-9a,11a-dimethyl-1-[(trimethylsilyl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthrene-6-carboxylate
8003-3963 Screening compound: methyl 1-cyano-9a,11a-dimethyl-1-[(trimethylsilyl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthrene-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-3963
methyl 1-cyano-9a,11a-dimethyl-1-[(trimethylsilyl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthrene-6-carboxylate

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

8003-3963

Molecular Formula

C25H41NO3Si (C25 H41 NO3 Si)

Compound Name

methyl 1-cyano-9a,11a-dimethyl-1-[(trimethylsilyl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthrene-6-carboxylate

IUPAC name

methyl (1R9aR11aS)-1-cyano-9a11a-dimethyl-1-[(trimethylsilyl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthrene-6-carboxylate

SMILES

C[C@@](CC1)(C(CC2)C(CC3)C1[C@](C)(CCC1)C3C1C(OC)=O)[C@@]2(C#N)O[Si](C)(C)C

InChI

InChI=1S/C25H41NO3Si/c1-23-13-7-8-18(22(27)28-3)19(23)10-9-17-20(23)11-14-24(2)21(17)12-15-25(24,16-26)29-30(4,5)6/h17-21H,7-15H2,1-6H3/t17?,18?,19?,20?,21?,23-,24-,25-/m1/s1

InChI Key

IZZOPDGVNHWMJA-MMBZWLOZSA-N

MDL Number (MFCD)

MFCD00735075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.158

Distribution Coefficient, logD

6.158

Water Solubility, LogSw

-5.55

Polar Surface Area

46.466

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

92.00

8003-3963 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 8003-3963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-3963?
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What is the minimum amount of 8003-3963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-3963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-3963
  • 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 8003-3963 available by request