N050-0021 Screening compound: 1-{1,7-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethan-1-one

N050-0021 Screening compound: 1-{1,7-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethan-1-one
N050-0021 Screening compound: 1-{1,7-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N050-0021
1-{1,7-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethan-1-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

N050-0021

Molecular Formula

C22H34O3 (C22 H34 O3)

Compound Name

1-{1,7-dihydroxy-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}ethan-1-one

IUPAC name

1-[(1R2R)-17-dihydroxy-29a11a-trimethyl-1H2H3H3aH3bH4H6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-1-yl]ethan-1-one

SMILES

C[C@@H](CC1C2(C)CCC3C(C)(CCC(C4)O)C4=CCC13)[C@]2(C(C)=O)O

InChI

InChI=1S/C22H34O3/c1-13-11-19-17-6-5-15-12-16(24)7-9-20(15,3)18(17)8-10-21(19,4)22(13,25)14(2)23/h5,13,16-19,24-25H,6-12H2,1-4H3/t13-,16?,17?,18?,19?,20?,21?,22+/m0/s1

InChI Key

MDCCMZGGNCMFPQ-FUDHFYACSA-N

MDL Number (MFCD)

MFCD00781722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.264

Distribution Coefficient, logD

3.264

Water Solubility, LogSw

-4.27

Polar Surface Area

45.000

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

86.40

N050-0021 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
Agro:
  • Agro
Structure:
  • Pool
  • Cyclic compounds
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with N050-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N050-0021?
Check Price and Availability of N050-0021, 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 N050-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N050-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N050-0021
  • 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 N050-0021 available by request