0960-0083 Screening compound: N-{3-[(E)-[(2-hydroxy-3-nitrophenyl)methylidene]amino]phenyl}furan-2-carboxamide

0960-0083 Screening compound: N-{3-[(E)-[(2-hydroxy-3-nitrophenyl)methylidene]amino]phenyl}furan-2-carboxamide
0960-0083 Screening compound: N-{3-[(E)-[(2-hydroxy-3-nitrophenyl)methylidene]amino]phenyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0960-0083
N-{3-[(E)-[(2-hydroxy-3-nitrophenyl)methylidene]amino]phenyl}furan-2-carboxamide

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

0960-0083

Molecular Formula

C18H13N3O5 (C18 H13 N3 O5)

Compound Name

N-{3-[(E)-[(2-hydroxy-3-nitrophenyl)methylidene]amino]phenyl}furan-2-carboxamide

IUPAC name

N-{3-[(E)-[(2-hydroxy-3-nitrophenyl)methylidene]amino]phenyl}furan-2-carboxamide

SMILES

[O-][N+](c(cccc1/C=N/c2cc(NC(c3ccco3)=O)ccc2)c1O)=O

InChI

InChI=1S/C18H13N3O5/c22-17-12(4-1-7-15(17)21(24)25)11-19-13-5-2-6-14(10-13)20-18(23)16-8-3-9-26-16/h1-11,22H,(H,20,23)

InChI Key

GGLCPVGEQZCWOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00294718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.590

Distribution Coefficient, logD

1.710

Water Solubility, LogSw

-3.79

Polar Surface Area

88.595

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0960-0083 in Drug Discovery

Included in Screening Libraries

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 0960-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0960-0083?
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What is the minimum amount of 0960-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0960-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0960-0083
  • 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 0960-0083 available by request