C356-0765 Screening compound: 2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl furan-2-carboxylate

C356-0765 Screening compound: 2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl furan-2-carboxylate
C356-0765 Screening compound: 2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0765
2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl furan-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

C356-0765

Molecular Formula

C20H15ClN4O7S2 (C20 H15 ClN4 O7 S2)

Compound Name

2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl furan-2-carboxylate

IUPAC name

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

SMILES

CCS(C(SC1=NC(/C2=C/c(cc3OC)cc(Cl)c3OC(c3ccco3)=O)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C20H15ClN4O7S2/c1-3-34(28,29)20-24-25-16(22)11(17(26)23-19(25)33-20)7-10-8-12(21)15(14(9-10)30-2)32-18(27)13-5-4-6-31-13/h4-9,22H,3H2,1-2H3

InChI Key

GXRLZDZNIRUHRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.95

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.814

Distribution Coefficient, logD

2.720

Water Solubility, LogSw

-3.76

Polar Surface Area

120.598

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with C356-0765 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0765?
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What is the minimum amount of C356-0765 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0765
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0765
  • 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 C356-0765 available by request