1672-3095 Screening compound: 4-[(E)-[(2-nitrophenyl)methylidene]amino]-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide

1672-3095 Screening compound: 4-[(E)-[(2-nitrophenyl)methylidene]amino]-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide
1672-3095 Screening compound: 4-[(E)-[(2-nitrophenyl)methylidene]amino]-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1672-3095
4-[(E)-[(2-nitrophenyl)methylidene]amino]-N-(1,3-thiazol-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

1672-3095

Molecular Formula

C16H12N4O4S2 (C16 H12 N4 O4 S2)

Compound Name

4-[(E)-[(2-nitrophenyl)methylidene]amino]-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide

IUPAC name

4-[(E)-[(2-nitrophenyl)methylidene]amino]-N-(13-thiazol-2-yl)benzene-1-sulfonamide

SMILES

[O-][N+](c1c(/C=N/c(cc2)ccc2S(Nc2nccs2)(=O)=O)cccc1)=O

InChI

InChI=1S/C16H12N4O4S2/c21-20(22)15-4-2-1-3-12(15)11-18-13-5-7-14(8-6-13)26(23,24)19-16-17-9-10-25-16/h1-11H,(H,17,19)

InChI Key

KIZUCZORBTWAFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01172123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.914

Distribution Coefficient, logD

1.813

Water Solubility, LogSw

-3.68

Polar Surface Area

92.575

Acid Dissociation Constant (pKa)

6.33

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1672-3095 in Drug Discovery

Included in Screening Libraries

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 1672-3095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1672-3095?
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What is the minimum amount of 1672-3095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1672-3095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1672-3095
  • 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 1672-3095 available by request