3794-0171 Screening compound: 5-(4-chlorophenyl)-3-phenyl-2-sulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

3794-0171 Screening compound: 5-(4-chlorophenyl)-3-phenyl-2-sulfanylidene-2H,3H,4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
3794-0171 Screening compound: 5-(4-chlorophenyl)-3-phenyl-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 3794-0171
5-(4-chlorophenyl)-3-phenyl-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

3794-0171

Molecular Formula

C17H12ClN3OS2 (C17 H12 ClN3 OS2)

Compound Name

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

IUPAC name

5-(4-chlorophenyl)-3-phenyl-2-sulfanylidene-2H3H4H5H6H7H-[13]thiazolo[45-d]pyrimidin-7-one

SMILES

O=C1NC(c(cc2)ccc2Cl)NC(N2c3ccccc3)=C1SC2=S

InChI

InChI=1S/C17H12ClN3OS2/c18-11-8-6-10(7-9-11)14-19-15-13(16(22)20-14)24-17(23)21(15)12-4-2-1-3-5-12/h1-9,14,19H,(H,20,22)/t14-/m0/s1

InChI Key

PVWFEUGIAVRVBK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01030649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.89

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

3.624

Distribution Coefficient, logD

3.624

Water Solubility, LogSw

-4.31

Polar Surface Area

38.172

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.90

3794-0171 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3794-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3794-0171?
Check Price and Availability of 3794-0171, 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 3794-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3794-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3794-0171
  • 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 3794-0171 available by request