A0062697 Screening compound: 3-(2-METHOXYPHENYL)-6-PHENYL-2,5-DISULFANYLIDENE-2H,3H,4H,5H,6H,7H-[1,3]THIAZOLO[4,5-D]PYRIMIDIN-7-ONE

A0062697 Screening compound: 3-(2-METHOXYPHENYL)-6-PHENYL-2,5-DISULFANYLIDENE-2H,3H,4H,5H,6H,7H-[1,3]THIAZOLO[4,5-D]PYRIMIDIN-7-ONE
A0062697 Screening compound: 3-(2-METHOXYPHENYL)-6-PHENYL-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 A0062697
3-(2-METHOXYPHENYL)-6-PHENYL-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

A0062697

Molecular Formula

C18H13N3O2S3 (C18 H13 N3 O2 S3)

Compound Name

3-(2-METHOXYPHENYL)-6-PHENYL-2,5-DISULFANYLIDENE-2H,3H,4H,5H,6H,7H-[1,3]THIAZOLO[4,5-D]PYRIMIDIN-7-ONE

IUPAC name

3-(2-methoxyphenyl)-6-phenyl-25-disulfanylidene-2H3H4H5H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

COc(cccc1)c1N(C(NC(N(c1ccccc1)C1=O)=S)=C1S1)C1=S

InChI

InChI=1S/C18H13N3O2S3/c1-23-13-10-6-5-9-12(13)21-15-14(26-18(21)25)16(22)20(17(24)19-15)11-7-3-2-4-8-11/h2-10H,1H3,(H,19,24)

InChI Key

CDAAFEJMYVODBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112587

Chemical and Physical Properties

Saltdata

(C2H5)3N

Molecular Weight

399.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.290

Distribution Coefficient, logD

3.290

Water Solubility, LogSw

-3.75

Polar Surface Area

35.831

Acid Dissociation Constant (pKa)

12.41

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with A0062697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062697?
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What is the minimum amount of A0062697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062697
  • 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 A0062697 available by request