N084-1022 Screening compound: methyl 4-{7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoate

N084-1022 Screening compound: methyl 4-{7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoate
N084-1022 Screening compound: methyl 4-{7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound N084-1022
methyl 4-{7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoate

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

N084-1022

Molecular Formula

C25H42O4 (C25 H42 O4)

Compound Name

methyl 4-{7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoate

IUPAC name

methyl 4-[(7R11S)-711-dihydroxy-9a11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate

SMILES

CC(CCC(OC)=O)C(CCC1C(CC2)C(C3)C(C)(CC4)C2C[C@@H]4O)C1(C)[C@H]3O

InChI

InChI=1S/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15?,16?,17-,18?,19?,20?,21?,22-,24?,25?/m0/s1

InChI Key

ZHUOOEGSSFNTNP-KBBFITSYSA-N

MDL Number (MFCD)

MFCD02939903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.041

Distribution Coefficient, logD

4.041

Water Solubility, LogSw

-4.52

Polar Surface Area

52.475

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

10.00

Percent sp3 carbon bonding

96.00

N084-1022 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
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 N084-1022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N084-1022?
Check Price and Availability of N084-1022, 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 N084-1022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N084-1022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N084-1022
  • 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 N084-1022 available by request