C355-1313 Screening compound: 2-chloro-4-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl furan-2-carboxylate

C355-1313 Screening compound: 2-chloro-4-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl furan-2-carboxylate
C355-1313 Screening compound: 2-chloro-4-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-1313
2-chloro-4-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-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

C355-1313

Molecular Formula

C21H17ClN4O7S2 (C21 H17 ClN4 O7 S2)

Compound Name

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

IUPAC name

2-chloro-4-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-6-ylidene]methyl}-6-methoxyphenyl furan-2-carboxylate

SMILES

CC(C)S(C(N1C(/C2=C/c(cc3OC)cc(Cl)c3OC(c3ccco3)=O)=N)=NSC1=NC2=O)(=O)=O

InChI

InChI=1S/C21H17ClN4O7S2/c1-10(2)35(29,30)21-25-34-20-24-18(27)12(17(23)26(20)21)7-11-8-13(22)16(15(9-11)31-3)33-19(28)14-5-4-6-32-14/h4-10,23H,1-3H3

InChI Key

GHSJBAYKUPSKPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.97

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

2.875

Distribution Coefficient, logD

2.875

Water Solubility, LogSw

-3.80

Polar Surface Area

117.803

Acid Dissociation Constant (pKa)

19.65

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with C355-1313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-1313?
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What is the minimum amount of C355-1313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-1313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-1313
  • 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 C355-1313 available by request