4970-0946 Screening compound: 3,5-diphenyl-2-sulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

4970-0946 Screening compound: 3,5-diphenyl-2-sulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
4970-0946 Screening compound: 3,5-diphenyl-2-sulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4970-0946
3,5-diphenyl-2-sulfanylidene-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

4970-0946

Molecular Formula

C17H13N3OS2 (C17 H13 N3 OS2)

Compound Name

3,5-diphenyl-2-sulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

IUPAC name

35-diphenyl-2-sulfanylidene-2H3H4H5H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

O=C1NC(c2ccccc2)NC(N2c3ccccc3)=C1SC2=S

InChI

InChI=1S/C17H13N3OS2/c21-16-13-15(18-14(19-16)11-7-3-1-4-8-11)20(17(22)23-13)12-9-5-2-6-10-12/h1-10,14,18H,(H,19,21)/t14-/m1/s1

InChI Key

BVIPZHBRIXVNFK-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00637309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.033

Distribution Coefficient, logD

3.033

Water Solubility, LogSw

-3.40

Polar Surface Area

38.172

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.90

4970-0946 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4970-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4970-0946?
Check Price and Availability of 4970-0946, 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 4970-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4970-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4970-0946
  • 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 4970-0946 available by request