8010-0062 Screening compound: 2-((Z)-1-{5-chloro-2-[(2-chlorobenzyl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

8010-0062 Screening compound: 2-((Z)-1-{5-chloro-2-[(2-chlorobenzyl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one
8010-0062 Screening compound: 2-((Z)-1-{5-chloro-2-[(2-chlorobenzyl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0062
2-((Z)-1-{5-chloro-2-[(2-chlorobenzyl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-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

8010-0062

Molecular Formula

C23H14Cl2N2O2S (C23 H14 Cl2 N2 O2 S)

Compound Name

2-((Z)-1-{5-chloro-2-[(2-chlorobenzyl)oxy]phenyl}methylidene)[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

IUPAC name

(4Z)-4-({5-chloro-2-[(2-chlorophenyl)methoxy]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(cc(cc2)Cl)c2OCc(cccc2)c2Cl)n2c1nc1c2cccc1

InChI

InChI=1S/C23H14Cl2N2O2S/c24-16-9-10-20(29-13-14-5-1-2-6-17(14)25)15(11-16)12-21-22(28)27-19-8-4-3-7-18(19)26-23(27)30-21/h1-12H,13H2

InChI Key

SYANDIZXCWXRDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01925934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.499

Distribution Coefficient, logD

6.499

Water Solubility, LogSw

-6.29

Polar Surface Area

31.767

Acid Dissociation Constant (pKa)

29.01

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 8010-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0062?
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What is the minimum amount of 8010-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0062
  • 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 8010-0062 available by request