A0062693 Screening compound: 6-phenyl-2,5-disulfanylidene-3-[3-(trifluoromethyl)phenyl]-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

A0062693 Screening compound: 6-phenyl-2,5-disulfanylidene-3-[3-(trifluoromethyl)phenyl]-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
A0062693 Screening compound: 6-phenyl-2,5-disulfanylidene-3-[3-(trifluoromethyl)phenyl]-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062693
6-phenyl-2,5-disulfanylidene-3-[3-(trifluoromethyl)phenyl]-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

A0062693

Molecular Formula

C18H10F3N3OS3 (C18 H10 F3 N3 OS3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(SC1=S)=C(N2)N1c1cc(C(F)(F)F)ccc1)N(c1ccccc1)C2=S

InChI

InChI=1S/C18H10F3N3OS3/c19-18(20,21)10-5-4-8-12(9-10)23-14-13(28-17(23)27)15(25)24(16(26)22-14)11-6-2-1-3-7-11/h1-9H,(H,22,26)

InChI Key

QFBLTASAMHWTPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112584

Chemical and Physical Properties

Saltdata

(C2H5)3N

Molecular Weight

437.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.287

Distribution Coefficient, logD

4.287

Water Solubility, LogSw

-4.44

Polar Surface Area

28.501

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

A0062693 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 A0062693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062693?
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What is the minimum amount of A0062693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062693
  • 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 A0062693 available by request