1038-3634 Screening compound: 2-[(E)-{[3-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]-4-nitrophenol

1038-3634 Screening compound: 2-[(E)-{[3-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]-4-nitrophenol
1038-3634 Screening compound: 2-[(E)-{[3-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]-4-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1038-3634
2-[(E)-{[3-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]-4-nitrophenol

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

1038-3634

Molecular Formula

C20H13N3O3S (C20 H13 N3 O3 S)

Compound Name

2-[(E)-{[3-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]-4-nitrophenol

IUPAC name

2-[(E)-{[3-(13-benzothiazol-2-yl)phenyl]imino}methyl]-4-nitrophenol

SMILES

[O-][N+](c(cc1)cc(/C=N/c2cccc(-c3nc(cccc4)c4s3)c2)c1O)=O

InChI

InChI=1S/C20H13N3O3S/c24-18-9-8-16(23(25)26)11-14(18)12-21-15-5-3-4-13(10-15)20-22-17-6-1-2-7-19(17)27-20/h1-12,24H

InChI Key

XJYHXNNCPAQMMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.312

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-5.51

Polar Surface Area

67.744

Acid Dissociation Constant (pKa)

5.55

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1038-3634 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 1038-3634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1038-3634?
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What is the minimum amount of 1038-3634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1038-3634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1038-3634
  • 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 1038-3634 available by request