8016-9842 Screening compound: 5,7-dichloro-6-methyl-1,3-benzoxazol-2-ylhydrosulfide

8016-9842 Screening compound: 5,7-dichloro-6-methyl-1,3-benzoxazol-2-ylhydrosulfide
8016-9842 Screening compound: 5,7-dichloro-6-methyl-1,3-benzoxazol-2-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9842
5,7-dichloro-6-methyl-1,3-benzoxazol-2-ylhydrosulfide

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

8016-9842

Molecular Formula

C8H5Cl2NOS (C8 H5 Cl2 NOS)

Compound Name

5,7-dichloro-6-methyl-1,3-benzoxazol-2-ylhydrosulfide

IUPAC name

57-dichloro-6-methyl-13-benzoxazole-2-thiol

SMILES

Cc(c(Cl)cc1c2oc(S)n1)c2Cl

InChI

InChI=1S/C8H5Cl2NOS/c1-3-4(9)2-5-7(6(3)10)12-8(13)11-5/h2H,1H3,(H,11,13)

InChI Key

HXLKSPUYOZZJBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.11

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

3.704

Distribution Coefficient, logD

3.651

Water Solubility, LogSw

-4.25

Polar Surface Area

16.429

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8016-9842 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-9842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9842?
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What is the minimum amount of 8016-9842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9842
  • 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 8016-9842 available by request