N023-0005 Screening compound: 4-{3a,5a,7-trihydroxy-11a-methyl-9a-[(E)-(2-phenylhydrazin-1-ylidene)methyl]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-one

N023-0005 Screening compound: 4-{3a,5a,7-trihydroxy-11a-methyl-9a-[(E)-(2-phenylhydrazin-1-ylidene)methyl]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-one
N023-0005 Screening compound: 4-{3a,5a,7-trihydroxy-11a-methyl-9a-[(E)-(2-phenylhydrazin-1-ylidene)methyl]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N023-0005
4-{3a,5a,7-trihydroxy-11a-methyl-9a-[(E)-(2-phenylhydrazin-1-ylidene)methyl]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-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

N023-0005

Molecular Formula

C29H38N2O5 (C29 H38 N2 O5)

Compound Name

4-{3a,5a,7-trihydroxy-11a-methyl-9a-[(E)-(2-phenylhydrazin-1-ylidene)methyl]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-one

IUPAC name

4-[(3bR7R9bS)-3a5a7-trihydroxy-11a-methyl-9a-[(E)-(2-phenylhydrazin-1-ylidene)methyl]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-25-dihydrofuran-2-one

SMILES

CC(CC[C@@H]([C@H]1CCC2(C[C@@H](CC3)O)O)C23/C=N/Nc2ccccc2)(C(CC2)C(CO3)=CC3=O)C12O

InChI

InChI=1S/C29H38N2O5/c1-26-11-8-23-24(29(26,35)14-10-22(26)19-15-25(33)36-17-19)9-13-28(34)16-21(32)7-12-27(23,28)18-30-31-20-5-3-2-4-6-20/h2-6,15,18,21-24,31-32,34-35H,7-14,16-17H2,1H3/t21-,22?,23+,24+,26?,27?,28?,29?/m0/s1

InChI Key

XQYWJIDANYBAFF-BUYAGVQVSA-N

MDL Number (MFCD)

MFCD01533807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.775

Distribution Coefficient, logD

0.206

Water Solubility, LogSw

-4.05

Polar Surface Area

89.405

Acid Dissociation Constant (pKa)

15.43

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

65.50

N023-0005 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Natural Compounds Library (353 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with N023-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N023-0005?
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What is the minimum amount of N023-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N023-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N023-0005
  • 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 N023-0005 available by request