1000-0337 Screening compound: 2-(1,3-benzothiazol-2-yl)-4-[(E)-[(4-bromophenyl)methylidene]amino]phenol

1000-0337 Screening compound: 2-(1,3-benzothiazol-2-yl)-4-[(E)-[(4-bromophenyl)methylidene]amino]phenol
1000-0337 Screening compound: 2-(1,3-benzothiazol-2-yl)-4-[(E)-[(4-bromophenyl)methylidene]amino]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1000-0337
2-(1,3-benzothiazol-2-yl)-4-[(E)-[(4-bromophenyl)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

1000-0337

Molecular Formula

C20H13BrN2OS (C20 H13 BrN2 OS)

Compound Name

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

IUPAC name

2-(13-benzothiazol-2-yl)-4-[(E)-[(4-bromophenyl)methylidene]amino]phenol

SMILES

Oc(ccc(/N=C/c(cc1)ccc1Br)c1)c1-c1nc(cccc2)c2s1

InChI

InChI=1S/C20H13BrN2OS/c21-14-7-5-13(6-8-14)12-22-15-9-10-18(24)16(11-15)20-23-17-3-1-2-4-19(17)25-20/h1-12,24H

InChI Key

HRTBLDDGDRYBPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.314

Distribution Coefficient, logD

6.312

Water Solubility, LogSw

-6.16

Polar Surface Area

34.363

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1000-0337 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1000-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1000-0337?
Check Price and Availability of 1000-0337, 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 1000-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1000-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1000-0337
  • 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 1000-0337 available by request