C356-0345 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}-6-methoxyphenyl benzoate

C356-0345 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}-6-methoxyphenyl benzoate
C356-0345 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}-6-methoxyphenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0345
2-chloro-4-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl benzoate

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

C356-0345

Molecular Formula

C21H15ClN4O6S2 (C21 H15 ClN4 O6 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}-6-methoxyphenyl benzoate

IUPAC name

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

SMILES

COc1cc(/C=C(\C(N(C(S2)=N3)N=C2S(C)(=O)=O)=N)/C3=O)cc(Cl)c1OC(c1ccccc1)=O

InChI

InChI=1S/C21H15ClN4O6S2/c1-31-15-10-11(9-14(22)16(15)32-19(28)12-6-4-3-5-7-12)8-13-17(23)26-20(24-18(13)27)33-21(25-26)34(2,29)30/h3-10,23H,1-2H3

InChI Key

FHHCNYYTTZTNSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.96

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.935

Distribution Coefficient, logD

2.841

Water Solubility, LogSw

-3.87

Polar Surface Area

112.733

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C356-0345 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C356-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0345?
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What is the minimum amount of C356-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0345
  • 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 C356-0345 available by request