8007-9692 Screening compound: N-cyclohexyl-N-(4-{[(E,2E)-3-(4-nitrophenyl)-2-propenylidene]amino}phenyl)amine

8007-9692 Screening compound: N-cyclohexyl-N-(4-{[(E,2E)-3-(4-nitrophenyl)-2-propenylidene]amino}phenyl)amine
8007-9692 Screening compound: N-cyclohexyl-N-(4-{[(E,2E)-3-(4-nitrophenyl)-2-propenylidene]amino}phenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-9692
N-cyclohexyl-N-(4-{[(E,2E)-3-(4-nitrophenyl)-2-propenylidene]amino}phenyl)amine

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

8007-9692

Molecular Formula

C21H23N3O2 (C21 H23 N3 O2)

Compound Name

N-cyclohexyl-N-(4-{[(E,2E)-3-(4-nitrophenyl)-2-propenylidene]amino}phenyl)amine

IUPAC name

(4E)-N1-cyclohexyl-N4-[(2E)-3-(4-nitrophenyl)prop-2-en-1-ylidene]benzene-14-diamine

SMILES

[O-][N+](c1ccc(/C=C/C=N/c(cc2)ccc2NC2CCCCC2)cc1)=O

InChI

InChI=1S/C21H23N3O2/c25-24(26)21-14-8-17(9-15-21)5-4-16-22-18-10-12-20(13-11-18)23-19-6-2-1-3-7-19/h4-5,8-16,19,23H,1-3,6-7H2

InChI Key

KIGQMUKVOFGZOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00365213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.323

Distribution Coefficient, logD

5.322

Water Solubility, LogSw

-5.59

Polar Surface Area

52.339

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

8007-9692 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8007-9692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-9692?
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What is the minimum amount of 8007-9692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-9692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-9692
  • 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 8007-9692 available by request