C146-1306 Screening compound: (6Z)-6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-3-(ethylsulfanyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C146-1306 Screening compound: (6Z)-6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-3-(ethylsulfanyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C146-1306 Screening compound: (6Z)-6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)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 C146-1306
(6Z)-6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)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

C146-1306

Molecular Formula

C20H19N5OS2 (C20 H19 N5 OS2)

Compound Name

(6Z)-6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-3-(ethylsulfanyl)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

IUPAC name

(6Z)-6-[(25-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-3-(ethylsulfanyl)-5-imino-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CCSC(N1C(/C2=C/c(cc3C)c(C)n3-c3ccccc3)=N)=NSC1=NC2=O

InChI

InChI=1S/C20H19N5OS2/c1-4-27-20-23-28-19-22-18(26)16(17(21)25(19)20)11-14-10-12(2)24(13(14)3)15-8-6-5-7-9-15/h5-11,21H,4H2,1-3H3

InChI Key

KLVCMUOPDGYQOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.245

Distribution Coefficient, logD

3.207

Water Solubility, LogSw

-3.33

Polar Surface Area

55.133

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with C146-1306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C146-1306?
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What is the minimum amount of C146-1306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C146-1306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C146-1306
  • 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 C146-1306 available by request