C356-0365 Screening compound: 2-chloro-4-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 4-fluorobenzoate

C356-0365 Screening compound: 2-chloro-4-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 4-fluorobenzoate
C356-0365 Screening compound: 2-chloro-4-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 4-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0365
2-chloro-4-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 4-fluorobenzoate

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

C356-0365

Molecular Formula

C20H12ClFN4O5S2 (C20 H12 ClFN4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CS(C(SC1=NC(/C2=C/c(cc3)cc(Cl)c3OC(c(cc3)ccc3F)=O)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C20H12ClFN4O5S2/c1-33(29,30)20-25-26-16(23)13(17(27)24-19(26)32-20)8-10-2-7-15(14(21)9-10)31-18(28)11-3-5-12(22)6-4-11/h2-9,23H,1H3

InChI Key

OOCUCQQIGVATIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.92

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

2.615

Distribution Coefficient, logD

2.521

Water Solubility, LogSw

-3.73

Polar Surface Area

105.016

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 C356-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0365?
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What is the minimum amount of C356-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0365
  • 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 C356-0365 available by request