C679-2692 Screening compound: 7-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C679-2692 Screening compound: 7-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
C679-2692 Screening compound: 7-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-2692
7-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-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

C679-2692

Molecular Formula

C17H11N5OS3 (C17 H11 N5 OS3)

Compound Name

7-[(1H-1,3-benzodiazol-2-ylsulfanyl)methyl]-2-(thiophen-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

7-[(1H-13-benzodiazol-2-ylsulfanyl)methyl]-2-(thiophen-2-yl)-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

O=C1N2N=C(c3cccs3)SC2=NC(CSc2nc(cccc3)c3[nH]2)=C1

InChI

InChI=1S/C17H11N5OS3/c23-14-8-10(9-25-16-19-11-4-1-2-5-12(11)20-16)18-17-22(14)21-15(26-17)13-6-3-7-24-13/h1-8H,9H2,(H,19,20)

InChI Key

OFZKVSXDNDFHSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.256

Distribution Coefficient, logD

3.256

Water Solubility, LogSw

-3.48

Polar Surface Area

57.031

Acid Dissociation Constant (pKa)

13.56

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

C679-2692 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C679-2692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-2692?
Check Price and Availability of C679-2692, 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 C679-2692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-2692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-2692
  • 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 C679-2692 available by request