C146-1834 Screening compound: 2-chloro-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate

C146-1834 Screening compound: 2-chloro-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate
C146-1834 Screening compound: 2-chloro-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C146-1834
2-chloro-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl 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

C146-1834

Molecular Formula

C19H13ClN4O4S2 (C19 H13 ClN4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCSC(N1C(/C2=C/c(cc3)cc(Cl)c3OC(c3ccco3)=O)=N)=NSC1=NC2=O

InChI

InChI=1S/C19H13ClN4O4S2/c1-2-29-19-23-30-18-22-16(25)11(15(21)24(18)19)8-10-5-6-13(12(20)9-10)28-17(26)14-4-3-7-27-14/h3-9,21H,2H2,1H3

InChI Key

SJOHJWLFHVFSOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.92

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.394

Distribution Coefficient, logD

3.371

Water Solubility, LogSw

-4.11

Polar Surface Area

81.511

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with C146-1834 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C146-1834
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C146-1834
  • 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 C146-1834 available by request