8007-6912 Screening compound: (4E)-N1-phenyl-N4-[(3,4,5-trimethoxyphenyl)methylidene]benzene-1,4-diamine

8007-6912 Screening compound: (4E)-N1-phenyl-N4-[(3,4,5-trimethoxyphenyl)methylidene]benzene-1,4-diamine
8007-6912 Screening compound: (4E)-N1-phenyl-N4-[(3,4,5-trimethoxyphenyl)methylidene]benzene-1,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6912
(4E)-N1-phenyl-N4-[(3,4,5-trimethoxyphenyl)methylidene]benzene-1,4-diamine

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

8007-6912

Molecular Formula

C22H22N2O3 (C22 H22 N2 O3)

Compound Name

(4E)-N1-phenyl-N4-[(3,4,5-trimethoxyphenyl)methylidene]benzene-1,4-diamine

IUPAC name

(4E)-N1-phenyl-N4-[(345-trimethoxyphenyl)methylidene]benzene-14-diamine

SMILES

COc1cc(/C=N/c(cc2)ccc2Nc2ccccc2)cc(OC)c1OC

InChI

InChI=1S/C22H22N2O3/c1-25-20-13-16(14-21(26-2)22(20)27-3)15-23-17-9-11-19(12-10-17)24-18-7-5-4-6-8-18/h4-15,24H,1-3H3

InChI Key

PTXRLECHXKLXHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00554954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.366

Distribution Coefficient, logD

4.347

Water Solubility, LogSw

-4.42

Polar Surface Area

40.256

Acid Dissociation Constant (pKa)

21.50

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

8007-6912 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8007-6912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-6912?
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What is the minimum amount of 8007-6912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6912
  • 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 8007-6912 available by request