C356-1256 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}phenyl methanesulfonate

C356-1256 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}phenyl methanesulfonate
C356-1256 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}phenyl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-1256
4-{[(6E)-5-imino-2-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl methanesulfonate

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

C356-1256

Molecular Formula

C17H18N4O6S3 (C17 H18 N4 O6 S3)

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}phenyl methanesulfonate

IUPAC name

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

SMILES

CC(C)CS(C(SC1=NC(/C2=C/c(cc3)ccc3OS(C)(=O)=O)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C17H18N4O6S3/c1-10(2)9-30(25,26)17-20-21-14(18)13(15(22)19-16(21)28-17)8-11-4-6-12(7-5-11)27-29(3,23)24/h4-8,10,18H,9H2,1-3H3

InChI Key

LRMXFGVTTHANCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.55

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.859

Distribution Coefficient, logD

1.765

Water Solubility, LogSw

-2.51

Polar Surface Area

119.987

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with C356-1256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-1256?
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What is the minimum amount of C356-1256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-1256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-1256
  • 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 C356-1256 available by request