C146-5259 Screening compound: (6Z)-5-imino-6-[(4-methylphenyl)methylidene]-3-[(2-methylpropyl)sulfanyl]-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C146-5259 Screening compound: (6Z)-5-imino-6-[(4-methylphenyl)methylidene]-3-[(2-methylpropyl)sulfanyl]-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C146-5259 Screening compound: (6Z)-5-imino-6-[(4-methylphenyl)methylidene]-3-[(2-methylpropyl)sulfanyl]-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C146-5259
(6Z)-5-imino-6-[(4-methylphenyl)methylidene]-3-[(2-methylpropyl)sulfanyl]-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

C146-5259

Molecular Formula

C17H18N4OS2 (C17 H18 N4 OS2)

Compound Name

(6Z)-5-imino-6-[(4-methylphenyl)methylidene]-3-[(2-methylpropyl)sulfanyl]-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

IUPAC name

(6Z)-5-imino-6-[(4-methylphenyl)methylidene]-3-[(2-methylpropyl)sulfanyl]-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CC(C)CSC(N1C(/C2=C/c3ccc(C)cc3)=N)=NSC1=NC2=O

InChI

InChI=1S/C17H18N4OS2/c1-10(2)9-23-17-20-24-16-19-15(22)13(14(18)21(16)17)8-12-6-4-11(3)5-7-12/h4-8,10,18H,9H2,1-3H3

InChI Key

YQZYCJYILHMLKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.834

Distribution Coefficient, logD

3.811

Water Solubility, LogSw

-3.94

Polar Surface Area

52.468

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with C146-5259 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 C146-5259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C146-5259
  • 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 C146-5259 available by request