C639-0385 Screening compound: (6E)-6-[(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)methylidene]-2-(furan-2-yl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C639-0385 Screening compound: (6E)-6-[(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)methylidene]-2-(furan-2-yl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C639-0385 Screening compound: (6E)-6-[(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)methylidene]-2-(furan-2-yl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C639-0385
(6E)-6-[(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)methylidene]-2-(furan-2-yl)-5-imino-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

C639-0385

Molecular Formula

C21H13ClN4O3S2 (C21 H13 ClN4 O3 S2)

Compound Name

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

IUPAC name

(6E)-6-[(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)methylidene]-2-(furan-2-yl)-5-imino-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

N=C(/C1=C\c(o2)ccc2SCc(cc2)ccc2Cl)N2N=C(c3ccco3)SC2=NC1=O

InChI

InChI=1S/C21H13ClN4O3S2/c22-13-5-3-12(4-6-13)11-30-17-8-7-14(29-17)10-15-18(23)26-21(24-19(15)27)31-20(25-26)16-2-1-9-28-16/h1-10,23H,11H2

InChI Key

ZPWPINSSWXYVGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.152

Distribution Coefficient, logD

3.276

Water Solubility, LogSw

-4.57

Polar Surface Area

71.116

Acid Dissociation Constant (pKa)

28.02

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with C639-0385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C639-0385?
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What is the minimum amount of C639-0385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C639-0385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C639-0385
  • 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 C639-0385 available by request