C249-0439 Screening compound: (4E)-2-(methylsulfanyl)-1-phenyl-4-[(thiophen-3-yl)methylidene]-4,5-dihydro-1H-imidazol-5-one

C249-0439 Screening compound: (4E)-2-(methylsulfanyl)-1-phenyl-4-[(thiophen-3-yl)methylidene]-4,5-dihydro-1H-imidazol-5-one
C249-0439 Screening compound: (4E)-2-(methylsulfanyl)-1-phenyl-4-[(thiophen-3-yl)methylidene]-4,5-dihydro-1H-imidazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C249-0439
(4E)-2-(methylsulfanyl)-1-phenyl-4-[(thiophen-3-yl)methylidene]-4,5-dihydro-1H-imidazol-5-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

C249-0439

Molecular Formula

C15H12N2OS2 (C15 H12 N2 OS2)

Compound Name

(4E)-2-(methylsulfanyl)-1-phenyl-4-[(thiophen-3-yl)methylidene]-4,5-dihydro-1H-imidazol-5-one

IUPAC name

(4E)-2-(methylsulfanyl)-1-phenyl-4-[(thiophen-3-yl)methylidene]-45-dihydro-1H-imidazol-5-one

SMILES

CSC(N(C1=O)c2ccccc2)=N/C1=C/c1cscc1

InChI

InChI=1S/C15H12N2OS2/c1-19-15-16-13(9-11-7-8-20-10-11)14(18)17(15)12-5-3-2-4-6-12/h2-10H,1H3

InChI Key

GRUDYMOSIIIRBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.170

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.30

Polar Surface Area

26.639

Acid Dissociation Constant (pKa)

38.26

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with C249-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C249-0439?
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What is the minimum amount of C249-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C249-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C249-0439
  • 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 C249-0439 available by request