3797-0654 Screening compound: (6Z)-6-[(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)methylidene]-5-imino-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3797-0654 Screening compound: (6Z)-6-[(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)methylidene]-5-imino-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3797-0654 Screening compound: (6Z)-6-[(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)methylidene]-5-imino-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3797-0654
(6Z)-6-[(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)methylidene]-5-imino-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

3797-0654

Molecular Formula

C24H23ClN4O3S2 (C24 H23 ClN4 O3 S2)

Compound Name

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

IUPAC name

(6Z)-6-[(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-3-methoxyphenyl)methylidene]-5-imino-2-propyl-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCCC(SC1=NC(/C2=C\c(cc3)cc(OC)c3OCCSc(cc3)ccc3Cl)=O)=NN1C2=N

InChI

InChI=1S/C24H23ClN4O3S2/c1-3-4-21-28-29-22(26)18(23(30)27-24(29)34-21)13-15-5-10-19(20(14-15)31-2)32-11-12-33-17-8-6-16(25)7-9-17/h5-10,13-14,26H,3-4,11-12H2,1-2H3

InChI Key

JCSZOMVIOCBJPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02118551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.06

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.059

Distribution Coefficient, logD

3.584

Water Solubility, LogSw

-5.36

Polar Surface Area

69.786

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3797-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3797-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3797-0654
  • 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 3797-0654 available by request