C356-0376 Screening compound: 2-bromo-4-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl thiophene-2-carboxylate

C356-0376 Screening compound: 2-bromo-4-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl thiophene-2-carboxylate
C356-0376 Screening compound: 2-bromo-4-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0376
2-bromo-4-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl thiophene-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

C356-0376

Molecular Formula

C18H11BrN4O5S3 (C18 H11 BrN4 O5 S3)

Compound Name

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

IUPAC name

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

SMILES

CS(C(SC1=NC(/C2=C/c(cc3)cc(Br)c3OC(c3cccs3)=O)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C18H11BrN4O5S3/c1-31(26,27)18-22-23-14(20)10(15(24)21-17(23)30-18)7-9-4-5-12(11(19)8-9)28-16(25)13-3-2-6-29-13/h2-8,20H,1H3

InChI Key

PSLJPBGVRNGGBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.41

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

2.445

Distribution Coefficient, logD

2.351

Water Solubility, LogSw

-2.93

Polar Surface Area

106.034

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with C356-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0376?
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What is the minimum amount of C356-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0376
  • 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 C356-0376 available by request