A0019073 Screening compound: 3-benzyl-6-(3-chlorophenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

A0019073 Screening compound: 3-benzyl-6-(3-chlorophenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
A0019073 Screening compound: 3-benzyl-6-(3-chlorophenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound A0019073
3-benzyl-6-(3-chlorophenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,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

A0019073

Molecular Formula

C25H17ClN4O3S3 (C25 H17 ClN4 O3 S3)

Compound Name

3-benzyl-6-(3-chlorophenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

3-benzyl-6-(3-chlorophenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

[O-][N+](c1cccc(CSC(N(c2cccc(Cl)c2)C2=O)=NC(N3Cc4ccccc4)=C2SC3=S)c1)=O

InChI

InChI=1S/C25H17ClN4O3S3/c26-18-9-5-10-19(13-18)29-23(31)21-22(28(25(34)36-21)14-16-6-2-1-3-7-16)27-24(29)35-15-17-8-4-11-20(12-17)30(32)33/h1-13H,14-15H2

InChI Key

DXNSFNBXUACZRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.09

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.487

Distribution Coefficient, logD

6.487

Water Solubility, LogSw

-6.31

Polar Surface Area

60.948

Acid Dissociation Constant (pKa)

33.10

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with A0019073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0019073?
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What is the minimum amount of A0019073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0019073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0019073
  • 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 A0019073 available by request