C508-0325 Screening compound: (6E)-6-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-5-imino-2-(2-methylphenyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C508-0325 Screening compound: (6E)-6-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-5-imino-2-(2-methylphenyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C508-0325 Screening compound: (6E)-6-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-5-imino-2-(2-methylphenyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C508-0325
(6E)-6-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-5-imino-2-(2-methylphenyl)-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

C508-0325

Molecular Formula

C23H22N4O2S2 (C23 H22 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1C(SC1=NC(/C2=C/c(o3)ccc3SC3CCCCC3)=O)=NN1C2=N

InChI

InChI=1S/C23H22N4O2S2/c1-14-7-5-6-10-17(14)22-26-27-20(24)18(21(28)25-23(27)31-22)13-15-11-12-19(29-15)30-16-8-3-2-4-9-16/h5-7,10-13,16,24H,2-4,8-9H2,1H3

InChI Key

KZOGIWZZFPYFQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.59

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

5.515

Distribution Coefficient, logD

4.234

Water Solubility, LogSw

-5.27

Polar Surface Area

62.730

Acid Dissociation Constant (pKa)

27.63

Base Dissociation Constant (pKb)

8.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with C508-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C508-0325?
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What is the minimum amount of C508-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C508-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C508-0325
  • 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 C508-0325 available by request