8013-0080 Screening compound: 3,5-dimethyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one

8013-0080 Screening compound: 3,5-dimethyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
8013-0080 Screening compound: 3,5-dimethyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0080
3,5-dimethyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-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

8013-0080

Molecular Formula

C7H7N3OS2 (C7 H7 N3 OS2)

Compound Name

3,5-dimethyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one

IUPAC name

35-dimethyl-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

CC(NC1=O)=NC(N2C)=C1SC2=S

InChI

InChI=1S/C7H7N3OS2/c1-3-8-5-4(6(11)9-3)13-7(12)10(5)2/h1-2H3,(H,8,9,11)

InChI Key

UBJSDQUNZGNUDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

213.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.527

Distribution Coefficient, logD

0.527

Water Solubility, LogSw

-1.93

Polar Surface Area

36.278

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

8013-0080 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 8013-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0080?
Check Price and Availability of 8013-0080, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8013-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0080
  • 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 8013-0080 available by request