3797-0308 Screening compound: (6Z)-5-imino-6-[(4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)methylidene]-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3797-0308 Screening compound: (6Z)-5-imino-6-[(4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)methylidene]-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3797-0308 Screening compound: (6Z)-5-imino-6-[(4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)methylidene]-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3797-0308
(6Z)-5-imino-6-[(4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)methylidene]-2-propyl-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

3797-0308

Molecular Formula

C24H24N4O2S2 (C24 H24 N4 O2 S2)

Compound Name

(6Z)-5-imino-6-[(4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)methylidene]-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-5-imino-6-[(4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)methylidene]-2-propyl-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCCC(SC1=NC(/C2=C\c(cc3)ccc3OCCSc3ccc(C)cc3)=O)=NN1C2=N

InChI

InChI=1S/C24H24N4O2S2/c1-3-4-21-27-28-22(25)20(23(29)26-24(28)32-21)15-17-7-9-18(10-8-17)30-13-14-31-19-11-5-16(2)6-12-19/h5-12,15,25H,3-4,13-14H2,1-2H3

InChI Key

CLLSRTKJPFPIFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02118205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.226

Distribution Coefficient, logD

3.752

Water Solubility, LogSw

-5.00

Polar Surface Area

62.069

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3797-0308 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3797-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3797-0308?
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What is the minimum amount of 3797-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3797-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3797-0308
  • 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 3797-0308 available by request