N023-0007 Screening compound: 4-{3a,5a,7-trihydroxy-9a-[(E)-[(2-hydroxyethyl)imino]methyl]-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-one

N023-0007 Screening compound: 4-{3a,5a,7-trihydroxy-9a-[(E)-[(2-hydroxyethyl)imino]methyl]-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-one
N023-0007 Screening compound: 4-{3a,5a,7-trihydroxy-9a-[(E)-[(2-hydroxyethyl)imino]methyl]-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N023-0007
4-{3a,5a,7-trihydroxy-9a-[(E)-[(2-hydroxyethyl)imino]methyl]-11a-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

N023-0007

Molecular Formula

C25H37NO6 (C25 H37 NO6)

Compound Name

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

IUPAC name

4-[(3bR7R9bS)-3a5a7-trihydroxy-9a-[(E)-[(2-hydroxyethyl)imino]methyl]-11a-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/CCO)(C(CC2)C(CO3)=CC3=O)C12O

InChI

InChI=1S/C25H37NO6/c1-22-6-3-19-20(25(22,31)9-5-18(22)16-12-21(29)32-14-16)4-8-24(30)13-17(28)2-7-23(19,24)15-26-10-11-27/h12,15,17-20,27-28,30-31H,2-11,13-14H2,1H3/t17-,18?,19+,20+,22?,23?,24?,25?/m0/s1

InChI Key

ADHLLVLYTWRLEA-XDORGHEUSA-N

MDL Number (MFCD)

MFCD01533809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.642

Distribution Coefficient, logD

0.642

Water Solubility, LogSw

-2.69

Polar Surface Area

93.699

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

2.96

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

84.00

N023-0007 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Natural Compounds Library (353 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with N023-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N023-0007?
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What is the minimum amount of N023-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N023-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N023-0007
  • 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 N023-0007 available by request