8007-8731 Screening compound: 4-[(E)-{[2-(benzyloxy)phenyl]methylidene}amino]-N-(pyridin-2-yl)benzene-1-sulfonamide

8007-8731 Screening compound: 4-[(E)-{[2-(benzyloxy)phenyl]methylidene}amino]-N-(pyridin-2-yl)benzene-1-sulfonamide
8007-8731 Screening compound: 4-[(E)-{[2-(benzyloxy)phenyl]methylidene}amino]-N-(pyridin-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-8731
4-[(E)-{[2-(benzyloxy)phenyl]methylidene}amino]-N-(pyridin-2-yl)benzene-1-sulfonamide

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

8007-8731

Molecular Formula

C25H21N3O3S (C25 H21 N3 O3 S)

Compound Name

4-[(E)-{[2-(benzyloxy)phenyl]methylidene}amino]-N-(pyridin-2-yl)benzene-1-sulfonamide

IUPAC name

4-[(E)-{[2-(benzyloxy)phenyl]methylidene}amino]-N-(pyridin-2-yl)benzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1/N=C/c(cccc1)c1OCc1ccccc1)(Nc1ncccc1)=O

InChI

InChI=1S/C25H21N3O3S/c29-32(30,28-25-12-6-7-17-26-25)23-15-13-22(14-16-23)27-18-21-10-4-5-11-24(21)31-19-20-8-2-1-3-9-20/h1-18H,19H2,(H,26,28)

InChI Key

ZUAMHLSIDAJCBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.885

Distribution Coefficient, logD

4.268

Water Solubility, LogSw

-5.10

Polar Surface Area

65.945

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

8007-8731 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8007-8731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-8731?
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What is the minimum amount of 8007-8731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-8731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-8731
  • 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 8007-8731 available by request