8007-9390 Screening compound: (10R,13S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one 3-(2,4-dinitrophenyl)hydrazone

8007-9390 Screening compound: (10R,13S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one 3-(2,4-dinitrophenyl)hydrazone
8007-9390 Screening compound: (10R,13S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one 3-(2,4-dinitrophenyl)hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-9390
(10R,13S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one 3-(2,4-dinitrophenyl)hydrazone

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

8007-9390

Molecular Formula

C25H32N4O5 (C25 H32 N4 O5)

Compound Name

(10R,13S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one 3-(2,4-dinitrophenyl)hydrazone

IUPAC name

(7E9aR11aS)-7-[2-(24-dinitrophenyl)hydrazin-1-ylidene]-9a11a-dimethyl-1H2H3H3aH3bH4H5H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-1-ol

SMILES

C[C@@](CC1)(C(CC2)C(CC3)C1[C@](C)(CC1)C3=C/C1=N/Nc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O)C2O

InChI

InChI=1S/C25H32N4O5/c1-24-11-9-16(26-27-21-7-4-17(28(31)32)14-22(21)29(33)34)13-15(24)3-5-18-19-6-8-23(30)25(19,2)12-10-20(18)24/h4,7,13-14,18-20,23,27,30H,3,5-6,8-12H2,1-2H3/t18?,19?,20?,23?,24-,25-/m1/s1

InChI Key

DTDUNRQFNQNYEJ-VBNKPHMOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.224

Distribution Coefficient, logD

6.152

Water Solubility, LogSw

-5.75

Polar Surface Area

103.112

Acid Dissociation Constant (pKa)

8.15

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

64.00

8007-9390 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8007-9390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-9390?
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What is the minimum amount of 8007-9390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-9390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-9390
  • 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 8007-9390 available by request