8004-2104 Screening compound: (16R,17S)-17-acetyl-10,13,16,17-tetramethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

8004-2104 Screening compound: (16R,17S)-17-acetyl-10,13,16,17-tetramethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
8004-2104 Screening compound: (16R,17S)-17-acetyl-10,13,16,17-tetramethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-2104
(16R,17S)-17-acetyl-10,13,16,17-tetramethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

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

8004-2104

Molecular Formula

C23H32O2 (C23 H32 O2)

Compound Name

(16R,17S)-17-acetyl-10,13,16,17-tetramethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

IUPAC name

(1S2R)-1-acetyl-129a11a-tetramethyl-1H2H3H3aH3bH4H5H7H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-one

SMILES

C[C@H](CC(C1CC2)C3(C)CCC1C(C)(C=C1)C2=CC1=O)[C@]3(C)C(C)=O

InChI

InChI=1S/C23H32O2/c1-14-12-20-18-7-6-16-13-17(25)8-10-21(16,3)19(18)9-11-22(20,4)23(14,5)15(2)24/h8,10,13-14,18-20H,6-7,9,11-12H2,1-5H3/t14-,18?,19?,20?,21?,22?,23+/m0/s1

InChI Key

JNABCHQTKFQDJL-MUJFBNEXSA-N

MDL Number (MFCD)

MFCD00468596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.162

Distribution Coefficient, logD

4.162

Water Solubility, LogSw

-4.77

Polar Surface Area

27.734

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

73.91

8004-2104 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8004-2104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-2104?
Check Price and Availability of 8004-2104, 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 8004-2104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-2104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-2104
  • 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 8004-2104 available by request