C508-0469 Screening compound: (6E)-6-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C508-0469 Screening compound: (6E)-6-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C508-0469 Screening compound: (6E)-6-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C508-0469
(6E)-6-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-5-imino-2-(propan-2-yl)-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

C508-0469

Molecular Formula

C19H22N4O2S2 (C19 H22 N4 O2 S2)

Compound Name

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

SMILES

CC(C)C(SC1=NC(/C2=C/c(o3)ccc3SC3CCCCC3)=O)=NN1C2=N

InChI

InChI=1S/C19H22N4O2S2/c1-11(2)18-22-23-16(20)14(17(24)21-19(23)27-18)10-12-8-9-15(25-12)26-13-6-4-3-5-7-13/h8-11,13,20H,3-7H2,1-2H3

InChI Key

SHQGHVJXPIMQFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.54

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

4.951

Distribution Coefficient, logD

2.910

Water Solubility, LogSw

-4.43

Polar Surface Area

63.001

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

9.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

References: we are preparing a list of scientific research reports with C508-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C508-0469?
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What is the minimum amount of C508-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C508-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C508-0469
  • 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 C508-0469 available by request