8010-9511 Screening compound: 5,7-dichloro-1,3-benzoxazole-2-thiol

8010-9511 Screening compound: 5,7-dichloro-1,3-benzoxazole-2-thiol
8010-9511 Screening compound: 5,7-dichloro-1,3-benzoxazole-2-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-9511
5,7-dichloro-1,3-benzoxazole-2-thiol

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

8010-9511

Molecular Formula

C7H3Cl2NOS (C7 H3 Cl2 NOS)

Compound Name

5,7-dichloro-1,3-benzoxazole-2-thiol

IUPAC name

57-dichloro-13-benzoxazole-2-thiol

SMILES

Sc1nc2cc(Cl)cc(Cl)c2o1

InChI

InChI=1S/C7H3Cl2NOS/c8-3-1-4(9)6-5(2-3)10-7(12)11-6/h1-2H,(H,10,12)

InChI Key

MSZMZTZSFPXXAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02615317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.08

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.121

Distribution Coefficient, logD

3.068

Water Solubility, LogSw

-3.49

Polar Surface Area

16.429

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8010-9511 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-9511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-9511?
Check Price and Availability of 8010-9511, 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 8010-9511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-9511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-9511
  • 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 8010-9511 available by request