C356-1326 Screening compound: 4-{[(6E)-5-imino-2-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl furan-2-carboxylate

C356-1326 Screening compound: 4-{[(6E)-5-imino-2-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl furan-2-carboxylate
C356-1326 Screening compound: 4-{[(6E)-5-imino-2-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-1326
4-{[(6E)-5-imino-2-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 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

C356-1326

Molecular Formula

C22H20N4O7S2 (C22 H20 N4 O7 S2)

Compound Name

4-{[(6E)-5-imino-2-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl furan-2-carboxylate

IUPAC name

4-{[(6E)-5-imino-2-(2-methylpropanesulfonyl)-7-oxo-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl furan-2-carboxylate

SMILES

CC(C)CS(C(SC1=NC(/C2=C/c(cc3)cc(OC)c3OC(c3ccco3)=O)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C22H20N4O7S2/c1-12(2)11-35(29,30)22-25-26-18(23)14(19(27)24-21(26)34-22)9-13-6-7-15(17(10-13)31-3)33-20(28)16-5-4-8-32-16/h4-10,12,23H,11H2,1-3H3

InChI Key

RCWFRFIVBPIXNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.56

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.757

Distribution Coefficient, logD

2.663

Water Solubility, LogSw

-3.47

Polar Surface Area

120.512

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C356-1326 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 C356-1326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-1326?
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What is the minimum amount of C356-1326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-1326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-1326
  • 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 C356-1326 available by request