C249-0536 Screening compound: (4Z)-1-(3-chloro-4-fluorophenyl)-2-(ethylsulfanyl)-4-[(4-methylphenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one

C249-0536 Screening compound: (4Z)-1-(3-chloro-4-fluorophenyl)-2-(ethylsulfanyl)-4-[(4-methylphenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one
C249-0536 Screening compound: (4Z)-1-(3-chloro-4-fluorophenyl)-2-(ethylsulfanyl)-4-[(4-methylphenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C249-0536
(4Z)-1-(3-chloro-4-fluorophenyl)-2-(ethylsulfanyl)-4-[(4-methylphenyl)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

C249-0536

Molecular Formula

C19H16ClFN2OS (C19 H16 ClFN2 OS)

Compound Name

(4Z)-1-(3-chloro-4-fluorophenyl)-2-(ethylsulfanyl)-4-[(4-methylphenyl)methylidene]-4,5-dihydro-1H-imidazol-5-one

IUPAC name

(4Z)-1-(3-chloro-4-fluorophenyl)-2-(ethylsulfanyl)-4-[(4-methylphenyl)methylidene]-45-dihydro-1H-imidazol-5-one

SMILES

CCSC(N(C1=O)c(cc2)cc(Cl)c2F)=N/C1=C\c1ccc(C)cc1

InChI

InChI=1S/C19H16ClFN2OS/c1-3-25-19-22-17(10-13-6-4-12(2)5-7-13)18(24)23(19)14-8-9-16(21)15(20)11-14/h4-11H,3H2,1-2H3

InChI Key

AOSOUYRQNBYSSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.107

Distribution Coefficient, logD

5.107

Water Solubility, LogSw

-5.68

Polar Surface Area

25.621

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with C249-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C249-0536?
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What is the minimum amount of C249-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C249-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C249-0536
  • 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 C249-0536 available by request