C679-2537 Screening compound: 2-methyl-7-{[(4-methylphenyl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C679-2537 Screening compound: 2-methyl-7-{[(4-methylphenyl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
C679-2537 Screening compound: 2-methyl-7-{[(4-methylphenyl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-2537
2-methyl-7-{[(4-methylphenyl)sulfanyl]methyl}-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

C679-2537

Molecular Formula

C14H13N3OS2 (C14 H13 N3 OS2)

Compound Name

2-methyl-7-{[(4-methylphenyl)sulfanyl]methyl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

2-methyl-7-{[(4-methylphenyl)sulfanyl]methyl}-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

CC(SC1=NC(CSc2ccc(C)cc2)=C2)=NN1C2=O

InChI

InChI=1S/C14H13N3OS2/c1-9-3-5-12(6-4-9)19-8-11-7-13(18)17-14(15-11)20-10(2)16-17/h3-7H,8H2,1-2H3

InChI Key

DREVJOXQUXAEKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.340

Distribution Coefficient, logD

3.338

Water Solubility, LogSw

-3.53

Polar Surface Area

37.444

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C679-2537 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C679-2537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-2537?
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What is the minimum amount of C679-2537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-2537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-2537
  • 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 C679-2537 available by request