5682-0093 Screening compound: 1-(4-chlorophenyl)-3-[(E)-(phenylmethylidene)amino]-1H,2H,5H-pyrido[3,2-b]indol-2-one

5682-0093 Screening compound: 1-(4-chlorophenyl)-3-[(E)-(phenylmethylidene)amino]-1H,2H,5H-pyrido[3,2-b]indol-2-one
5682-0093 Screening compound: 1-(4-chlorophenyl)-3-[(E)-(phenylmethylidene)amino]-1H,2H,5H-pyrido[3,2-b]indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5682-0093
1-(4-chlorophenyl)-3-[(E)-(phenylmethylidene)amino]-1H,2H,5H-pyrido[3,2-b]indol-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

5682-0093

Molecular Formula

C24H16ClN3O (C24 H16 ClN3 O)

Compound Name

1-(4-chlorophenyl)-3-[(E)-(phenylmethylidene)amino]-1H,2H,5H-pyrido[3,2-b]indol-2-one

IUPAC name

1-(4-chlorophenyl)-3-[(E)-(phenylmethylidene)amino]-1H2H5H-pyrido[32-b]indol-2-one

SMILES

O=C(C(/N=C/c1ccccc1)=Cc1c2c(cccc3)c3[nH]1)N2c(cc1)ccc1Cl

InChI

InChI=1S/C24H16ClN3O/c25-17-10-12-18(13-11-17)28-23-19-8-4-5-9-20(19)27-21(23)14-22(24(28)29)26-15-16-6-2-1-3-7-16/h1-15,27H

InChI Key

MVYBIZHENACYCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.045

Distribution Coefficient, logD

5.020

Water Solubility, LogSw

-5.43

Polar Surface Area

35.828

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5682-0093 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5682-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5682-0093?
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What is the minimum amount of 5682-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5682-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5682-0093
  • 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 5682-0093 available by request