8010-5973 Screening compound: 2-(2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

8010-5973 Screening compound: 2-(2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione
8010-5973 Screening compound: 2-(2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5973
2-(2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

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

8010-5973

Molecular Formula

C23H11Cl2N3O5S2 (C23 H11 Cl2 N3 O5 S2)

Compound Name

2-(2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-(2-{[2-(24-dichlorophenyl)-2-oxoethyl]sulfanyl}-13-benzothiazol-6-yl)-4-nitro-23-dihydro-1H-isoindole-13-dione

SMILES

[O-][N+](c1cccc(C(N2c(cc3)cc4c3nc(SCC(c(ccc(Cl)c3)c3Cl)=O)s4)=O)c1C2=O)=O

InChI

InChI=1S/C23H11Cl2N3O5S2/c24-11-4-6-13(15(25)8-11)18(29)10-34-23-26-16-7-5-12(9-19(16)35-23)27-21(30)14-2-1-3-17(28(32)33)20(14)22(27)31/h1-9H,10H2

InChI Key

FHTVBWNERVFDRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.39

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.174

Distribution Coefficient, logD

5.174

Water Solubility, LogSw

-5.78

Polar Surface Area

84.017

Acid Dissociation Constant (pKa)

17.13

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

8010-5973 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8010-5973 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8010-5973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5973
  • 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 8010-5973 available by request