C354-0825 Screening compound: (6Z)-6-[(3,5-dichloro-4-methoxyphenyl)methylidene]-3-(ethylsulfanyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C354-0825 Screening compound: (6Z)-6-[(3,5-dichloro-4-methoxyphenyl)methylidene]-3-(ethylsulfanyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C354-0825 Screening compound: (6Z)-6-[(3,5-dichloro-4-methoxyphenyl)methylidene]-3-(ethylsulfanyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C354-0825
(6Z)-6-[(3,5-dichloro-4-methoxyphenyl)methylidene]-3-(ethylsulfanyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

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

C354-0825

Molecular Formula

C15H12Cl2N4O2S2 (C15 H12 Cl2 N4 O2 S2)

Compound Name

(6Z)-6-[(3,5-dichloro-4-methoxyphenyl)methylidene]-3-(ethylsulfanyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

IUPAC name

(6Z)-6-[(35-dichloro-4-methoxyphenyl)methylidene]-3-(ethylsulfanyl)-5-imino-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CCSC(N1C(/C2=C/c(cc3Cl)cc(Cl)c3OC)=N)=NSC1=NC2=O

InChI

InChI=1S/C15H12Cl2N4O2S2/c1-3-24-15-20-25-14-19-13(22)8(12(18)21(14)15)4-7-5-9(16)11(23-2)10(17)6-7/h4-6,18H,3H2,1-2H3

InChI Key

DKQMHUHOOFZXGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14750946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.212

Distribution Coefficient, logD

4.188

Water Solubility, LogSw

-4.51

Polar Surface Area

60.185

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with C354-0825 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 C354-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C354-0825
  • 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 C354-0825 available by request