0140-0222 Screening compound: 2-(1,3-benzothiazol-2-yl)-4-[(E)-[(5-bromo-2-hydroxyphenyl)methylidene]amino]phenol

0140-0222 Screening compound: 2-(1,3-benzothiazol-2-yl)-4-[(E)-[(5-bromo-2-hydroxyphenyl)methylidene]amino]phenol
0140-0222 Screening compound: 2-(1,3-benzothiazol-2-yl)-4-[(E)-[(5-bromo-2-hydroxyphenyl)methylidene]amino]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0140-0222
2-(1,3-benzothiazol-2-yl)-4-[(E)-[(5-bromo-2-hydroxyphenyl)methylidene]amino]phenol

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

0140-0222

Molecular Formula

C20H13BrN2O2S (C20 H13 BrN2 O2 S)

Compound Name

2-(1,3-benzothiazol-2-yl)-4-[(E)-[(5-bromo-2-hydroxyphenyl)methylidene]amino]phenol

IUPAC name

2-(13-benzothiazol-2-yl)-4-[(E)-[(5-bromo-2-hydroxyphenyl)methylidene]amino]phenol

SMILES

Oc(cc1)c(/C=N/c(cc2)cc(-c3nc(cccc4)c4s3)c2O)cc1Br

InChI

InChI=1S/C20H13BrN2O2S/c21-13-5-7-17(24)12(9-13)11-22-14-6-8-18(25)15(10-14)20-23-16-3-1-2-4-19(16)26-20/h1-11,24-25H

InChI Key

MIGKQKBPMOFICQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00601888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.262

Distribution Coefficient, logD

6.199

Water Solubility, LogSw

-6.09

Polar Surface Area

50.911

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0140-0222 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 0140-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0140-0222?
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What is the minimum amount of 0140-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0140-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0140-0222
  • 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 0140-0222 available by request