C639-0322 Screening compound: (6E)-6-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-5-imino-2-methyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C639-0322 Screening compound: (6E)-6-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-5-imino-2-methyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C639-0322 Screening compound: (6E)-6-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-5-imino-2-methyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C639-0322
(6E)-6-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-5-imino-2-methyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]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

C639-0322

Molecular Formula

C18H14N4O2S2 (C18 H14 N4 O2 S2)

Compound Name

(6E)-6-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-5-imino-2-methyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6E)-6-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-5-imino-2-methyl-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CC(SC1=NC(/C2=C/c(o3)ccc3SCc3ccccc3)=O)=NN1C2=N

InChI

InChI=1S/C18H14N4O2S2/c1-11-21-22-16(19)14(17(23)20-18(22)26-11)9-13-7-8-15(24-13)25-10-12-5-3-2-4-6-12/h2-9,19H,10H2,1H3

InChI Key

YFZYUFLNTPSUHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.302

Distribution Coefficient, logD

1.852

Water Solubility, LogSw

-3.58

Polar Surface Area

61.982

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C639-0322 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C639-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C639-0322?
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What is the minimum amount of C639-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C639-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C639-0322
  • 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 C639-0322 available by request