0133-0039 Screening compound: 2-(1,3-benzothiazol-2-yl)-4,6-dibromophenol

0133-0039 Screening compound: 2-(1,3-benzothiazol-2-yl)-4,6-dibromophenol
0133-0039 Screening compound: 2-(1,3-benzothiazol-2-yl)-4,6-dibromophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0133-0039
2-(1,3-benzothiazol-2-yl)-4,6-dibromophenol

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

0133-0039

Molecular Formula

C13H7Br2NOS (C13 H7 Br2 NOS)

Compound Name

2-(1,3-benzothiazol-2-yl)-4,6-dibromophenol

IUPAC name

2-(13-benzothiazol-2-yl)-46-dibromophenol

SMILES

Oc(c(-c1nc(cccc2)c2s1)cc(Br)c1)c1Br

InChI

InChI=1S/C13H7Br2NOS/c14-7-5-8(12(17)9(15)6-7)13-16-10-3-1-2-4-11(10)18-13/h1-6,17H

InChI Key

FWKHLHXATSAQBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00601828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.08

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.503

Distribution Coefficient, logD

5.475

Water Solubility, LogSw

-6.09

Polar Surface Area

25.166

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0133-0039 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0133-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0133-0039?
Check Price and Availability of 0133-0039, 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 0133-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0133-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0133-0039
  • 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 0133-0039 available by request