3797-0325 Screening compound: (6Z)-2-heptyl-5-imino-6-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3797-0325 Screening compound: (6Z)-2-heptyl-5-imino-6-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3797-0325 Screening compound: (6Z)-2-heptyl-5-imino-6-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3797-0325
(6Z)-2-heptyl-5-imino-6-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)-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

3797-0325

Molecular Formula

C24H26N4O2S2 (C24 H26 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCCC(SC1=NC(/C2=C\c(o3)ccc3Sc3ccc(C)cc3)=O)=NN1C2=N

InChI

InChI=1S/C24H26N4O2S2/c1-3-4-5-6-7-8-20-27-28-22(25)19(23(29)26-24(28)32-20)15-17-11-14-21(30-17)31-18-12-9-16(2)10-13-18/h9-15,25H,3-8H2,1-2H3

InChI Key

AJBQLKBXXGJWDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02118222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.041

Distribution Coefficient, logD

5.297

Water Solubility, LogSw

-5.61

Polar Surface Area

62.713

Acid Dissociation Constant (pKa)

23.97

Base Dissociation Constant (pKb)

9.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 3797-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3797-0325?
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What is the minimum amount of 3797-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3797-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3797-0325
  • 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 3797-0325 available by request