C726-1343 Screening compound: 4-{[(6E)-5-imino-7-oxo-2-(piperidin-1-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 3-methoxybenzoate

C726-1343 Screening compound: 4-{[(6E)-5-imino-7-oxo-2-(piperidin-1-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 3-methoxybenzoate
C726-1343 Screening compound: 4-{[(6E)-5-imino-7-oxo-2-(piperidin-1-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 3-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C726-1343
4-{[(6E)-5-imino-7-oxo-2-(piperidin-1-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 3-methoxybenzoate

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

C726-1343

Molecular Formula

C25H23N5O4S (C25 H23 N5 O4 S)

Compound Name

4-{[(6E)-5-imino-7-oxo-2-(piperidin-1-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 3-methoxybenzoate

IUPAC name

4-{[(6E)-5-imino-7-oxo-2-(piperidin-1-yl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-6-ylidene]methyl}phenyl 3-methoxybenzoate

SMILES

COc1cccc(C(Oc2ccc(/C=C(\C(N3N=C(N4CCCCC4)SC3=N3)=N)/C3=O)cc2)=O)c1

InChI

InChI=1S/C25H23N5O4S/c1-33-19-7-5-6-17(15-19)23(32)34-18-10-8-16(9-11-18)14-20-21(26)30-24(27-22(20)31)35-25(28-30)29-12-3-2-4-13-29/h5-11,14-15,26H,2-4,12-13H2,1H3

InChI Key

UVZYARNGNDBQJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.748

Distribution Coefficient, logD

1.249

Water Solubility, LogSw

-4.09

Polar Surface Area

85.976

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with C726-1343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C726-1343?
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What is the minimum amount of C726-1343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C726-1343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C726-1343
  • 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 C726-1343 available by request