N084-1019 Screening compound: 4-{4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid

N084-1019 Screening compound: 4-{4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid
N084-1019 Screening compound: 4-{4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound N084-1019
4-{4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid

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

N084-1019

Molecular Formula

C24H40O5 (C24 H40 O5)

Compound Name

4-{4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid

IUPAC name

4-[(1R4R7R9bS11S)-4711-trihydroxy-9a11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid

SMILES

C[C@H](CCC(O)=O)[C@@H](CCC1C([C@H](C2)C(C)(CC[C@H](C3)O)C3C3)[C@@H]3O)C1(C)[C@H]2O

InChI

InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14?,15+,16-,17?,18-,19-,20+,22?,23?,24?/m1/s1

InChI Key

BHQCQFFYRZLCQQ-ACRFUZKMSA-N

MDL Number (MFCD)

MFCD02939902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.864

Distribution Coefficient, logD

-0.964

Water Solubility, LogSw

-3.51

Polar Surface Area

75.896

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

11.00

Percent sp3 carbon bonding

95.80

N084-1019 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with N084-1019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N084-1019?
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What is the minimum amount of N084-1019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N084-1019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N084-1019
  • 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 N084-1019 available by request