3175-0521 Screening compound: 2-((E)-1-{2-[(4-chlorophenyl)sulfanyl]phenyl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

3175-0521 Screening compound: 2-((E)-1-{2-[(4-chlorophenyl)sulfanyl]phenyl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one
3175-0521 Screening compound: 2-((E)-1-{2-[(4-chlorophenyl)sulfanyl]phenyl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3175-0521
2-((E)-1-{2-[(4-chlorophenyl)sulfanyl]phenyl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

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

3175-0521

Molecular Formula

C22H13ClN2OS2 (C22 H13 ClN2 OS2)

Compound Name

2-((E)-1-{2-[(4-chlorophenyl)sulfanyl]phenyl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

IUPAC name

(4E)-4-({2-[(4-chlorophenyl)sulfanyl]phenyl}methylidene)-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-3-one

SMILES

O=C(/C(/S1)=C\c(cccc2)c2Sc(cc2)ccc2Cl)n2c1nc1c2cccc1

InChI

InChI=1S/C22H13ClN2OS2/c23-15-9-11-16(12-10-15)27-19-8-4-1-5-14(19)13-20-21(26)25-18-7-3-2-6-17(18)24-22(25)28-20/h1-13H

InChI Key

VBKQAOBVPJVOPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.156

Distribution Coefficient, logD

6.156

Water Solubility, LogSw

-6.33

Polar Surface Area

24.181

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3175-0521 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3175-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3175-0521?
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What is the minimum amount of 3175-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3175-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3175-0521
  • 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 3175-0521 available by request