C726-1349 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 furan-2-carboxylate

C726-1349 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 furan-2-carboxylate
C726-1349 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 furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C726-1349
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 furan-2-carboxylate

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

C726-1349

Molecular Formula

C22H19N5O4S (C22 H19 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 furan-2-carboxylate

IUPAC name

n/a

SMILES

N=C(/C1=C\c(cc2)ccc2OC(c2ccco2)=O)N2N=C(N3CCCCC3)SC2=NC1=O

InChI

InChI=1S/C22H19N5O4S/c23-18-16(13-14-6-8-15(9-7-14)31-20(29)17-5-4-12-30-17)19(28)24-21-27(18)25-22(32-21)26-10-2-1-3-11-26/h4-9,12-13,23H,1-3,10-11H2

InChI Key

SGHLYSLWGIJPDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.930

Distribution Coefficient, logD

0.430

Water Solubility, LogSw

-3.45

Polar Surface Area

87.011

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C726-1349 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C726-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C726-1349?
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What is the minimum amount of C726-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C726-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C726-1349
  • 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 C726-1349 available by request