8010-4807 Screening compound: 2-(1,3-benzothiazol-2-yl)ethyl (4-chlorophenyl) sulfone

8010-4807 Screening compound: 2-(1,3-benzothiazol-2-yl)ethyl (4-chlorophenyl) sulfone
8010-4807 Screening compound: 2-(1,3-benzothiazol-2-yl)ethyl (4-chlorophenyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4807
2-(1,3-benzothiazol-2-yl)ethyl (4-chlorophenyl) sulfone

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

8010-4807

Molecular Formula

C15H12ClNO2S2 (C15 H12 ClNO2 S2)

Compound Name

2-(1,3-benzothiazol-2-yl)ethyl (4-chlorophenyl) sulfone

IUPAC name

2-[2-(4-chlorobenzenesulfonyl)ethyl]-13-benzothiazole

SMILES

O=S(CCc1nc(cccc2)c2s1)(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C15H12ClNO2S2/c16-11-5-7-12(8-6-11)21(18,19)10-9-15-17-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2

InChI Key

HXJIGIFNWHIAKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02044696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.115

Distribution Coefficient, logD

4.115

Water Solubility, LogSw

-4.53

Polar Surface Area

39.219

Acid Dissociation Constant (pKa)

20.53

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8010-4807 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8010-4807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4807?
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What is the minimum amount of 8010-4807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4807
  • 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 8010-4807 available by request