A0062752 Screening compound: 6-(3-chlorophenyl)-3-(2,6-dimethylphenyl)-2,5-disulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

A0062752 Screening compound: 6-(3-chlorophenyl)-3-(2,6-dimethylphenyl)-2,5-disulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
A0062752 Screening compound: 6-(3-chlorophenyl)-3-(2,6-dimethylphenyl)-2,5-disulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062752
6-(3-chlorophenyl)-3-(2,6-dimethylphenyl)-2,5-disulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-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

A0062752

Molecular Formula

C19H14ClN3OS3 (C19 H14 ClN3 OS3)

Compound Name

6-(3-chlorophenyl)-3-(2,6-dimethylphenyl)-2,5-disulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

6-(3-chlorophenyl)-3-(26-dimethylphenyl)-25-disulfanylidene-2H3H4H5H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

Cc1cccc(C)c1N(C(NC(N(c1cccc(Cl)c1)C1=O)=S)=C1S1)C1=S

InChI

InChI=1S/C19H14ClN3OS3/c1-10-5-3-6-11(2)14(10)23-16-15(27-19(23)26)17(24)22(18(25)21-16)13-8-4-7-12(20)9-13/h3-9H,1-2H3,(H,21,25)

InChI Key

DZQCSHCGELAKCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713635

Chemical and Physical Properties

Saltdata

(C2H5)3N

Molecular Weight

431.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.978

Distribution Coefficient, logD

4.976

Water Solubility, LogSw

-4.98

Polar Surface Area

27.900

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with A0062752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062752?
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What is the minimum amount of A0062752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062752
  • 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 A0062752 available by request