C356-0314 Screening compound: 4-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 4-chlorobenzoate

C356-0314 Screening compound: 4-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 4-chlorobenzoate
C356-0314 Screening compound: 4-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0314
4-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 4-chlorobenzoate

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

C356-0314

Molecular Formula

C20H13ClN4O5S2 (C20 H13 ClN4 O5 S2)

Compound Name

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

IUPAC name

4-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-6-ylidene]methyl}phenyl 4-chlorobenzoate

SMILES

CS(C(SC1=NC(/C2=C/c(cc3)ccc3OC(c(cc3)ccc3Cl)=O)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C20H13ClN4O5S2/c1-32(28,29)20-24-25-16(22)15(17(26)23-19(25)31-20)10-11-2-8-14(9-3-11)30-18(27)12-4-6-13(21)7-5-12/h2-10,22H,1H3

InChI Key

SAKBQYQSQAGIKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.93

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.632

Distribution Coefficient, logD

2.538

Water Solubility, LogSw

-3.94

Polar Surface Area

104.929

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with C356-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C356-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0314
  • 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 C356-0314 available by request