N017-0021 Screening compound: (13aR)-6b-acetyl-13a-hydroxy-4a,6a,13-trimethylicosahydro-2H-indeno[2,1-a]phenanthren-2-one

N017-0021 Screening compound: (13aR)-6b-acetyl-13a-hydroxy-4a,6a,13-trimethylicosahydro-2H-indeno[2,1-a]phenanthren-2-one
N017-0021 Screening compound: (13aR)-6b-acetyl-13a-hydroxy-4a,6a,13-trimethylicosahydro-2H-indeno[2,1-a]phenanthren-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N017-0021
(13aR)-6b-acetyl-13a-hydroxy-4a,6a,13-trimethylicosahydro-2H-indeno[2,1-a]phenanthren-2-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

N017-0021

Molecular Formula

C26H40O3 (C26 H40 O3)

Compound Name

(13aR)-6b-acetyl-13a-hydroxy-4a,6a,13-trimethylicosahydro-2H-indeno[2,1-a]phenanthren-2-one

IUPAC name

n/a

SMILES

CC(CC(C(CC1CCCC2)C(C)(CC3)C12C(C)=O)C3C1(C)CCC(C2)=O)C12O

InChI

InChI=1S/C26H40O3/c1-16-13-20-21(24(4)11-8-19(28)15-26(16,24)29)9-12-23(3)22(20)14-18-7-5-6-10-25(18,23)17(2)27/h16,18,20-22,29H,5-15H2,1-4H3

InChI Key

YYJQALYDDZZWSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00296866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.280

Distribution Coefficient, logD

4.280

Water Solubility, LogSw

-4.99

Polar Surface Area

42.567

Acid Dissociation Constant (pKa)

16.61

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

9.00

Percent sp3 carbon bonding

92.31

N017-0021 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Glucocorticoid receptors Library (4806 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with N017-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N017-0021?
Check Price and Availability of N017-0021, 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 N017-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N017-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N017-0021
  • 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 N017-0021 available by request