5682-0094 Screening compound: 3-[(E)-[(3-nitrophenyl)methylidene]amino]-1-phenyl-1H,2H,5H-pyrido[3,2-b]indol-2-one

5682-0094 Screening compound: 3-[(E)-[(3-nitrophenyl)methylidene]amino]-1-phenyl-1H,2H,5H-pyrido[3,2-b]indol-2-one
5682-0094 Screening compound: 3-[(E)-[(3-nitrophenyl)methylidene]amino]-1-phenyl-1H,2H,5H-pyrido[3,2-b]indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5682-0094
3-[(E)-[(3-nitrophenyl)methylidene]amino]-1-phenyl-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

5682-0094

Molecular Formula

C24H16N4O3 (C24 H16 N4 O3)

Compound Name

3-[(E)-[(3-nitrophenyl)methylidene]amino]-1-phenyl-1H,2H,5H-pyrido[3,2-b]indol-2-one

IUPAC name

3-[(E)-[(3-nitrophenyl)methylidene]amino]-1-phenyl-1H2H5H-pyrido[32-b]indol-2-one

SMILES

[O-][N+](c1cc(/C=N/C2=Cc([nH]c3c4cccc3)c4N(c3ccccc3)C2=O)ccc1)=O

InChI

InChI=1S/C24H16N4O3/c29-24-22(25-15-16-7-6-10-18(13-16)28(30)31)14-21-23(19-11-4-5-12-20(19)26-21)27(24)17-8-2-1-3-9-17/h1-15,26H

InChI Key

QTLRIHJYWBYQRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.300

Distribution Coefficient, logD

4.299

Water Solubility, LogSw

-4.68

Polar Surface Area

69.209

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5682-0094 in Drug Discovery

Included in Screening Libraries

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 5682-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5682-0094?
Check Price and Availability of 5682-0094, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5682-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5682-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5682-0094
  • 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 5682-0094 available by request