C249-0507 Screening compound: (4E)-1-(3-chloro-4-methoxyphenyl)-4-[(4-ethylphenyl)methylidene]-2-(ethylsulfanyl)-4,5-dihydro-1H-imidazol-5-one

C249-0507 Screening compound: (4E)-1-(3-chloro-4-methoxyphenyl)-4-[(4-ethylphenyl)methylidene]-2-(ethylsulfanyl)-4,5-dihydro-1H-imidazol-5-one
C249-0507 Screening compound: (4E)-1-(3-chloro-4-methoxyphenyl)-4-[(4-ethylphenyl)methylidene]-2-(ethylsulfanyl)-4,5-dihydro-1H-imidazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C249-0507
(4E)-1-(3-chloro-4-methoxyphenyl)-4-[(4-ethylphenyl)methylidene]-2-(ethylsulfanyl)-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

C249-0507

Molecular Formula

C21H21ClN2O2S (C21 H21 ClN2 O2 S)

Compound Name

(4E)-1-(3-chloro-4-methoxyphenyl)-4-[(4-ethylphenyl)methylidene]-2-(ethylsulfanyl)-4,5-dihydro-1H-imidazol-5-one

IUPAC name

(4E)-1-(3-chloro-4-methoxyphenyl)-4-[(4-ethylphenyl)methylidene]-2-(ethylsulfanyl)-45-dihydro-1H-imidazol-5-one

SMILES

CCc1ccc(/C=C(\C(N2c(cc3)cc(Cl)c3OC)=O)/N=C2SCC)cc1

InChI

InChI=1S/C21H21ClN2O2S/c1-4-14-6-8-15(9-7-14)12-18-20(25)24(21(23-18)27-5-2)16-10-11-19(26-3)17(22)13-16/h6-13H,4-5H2,1-3H3

InChI Key

CPFSXPLDOKCBPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.395

Distribution Coefficient, logD

5.395

Water Solubility, LogSw

-6.13

Polar Surface Area

33.252

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C249-0507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C249-0507?
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What is the minimum amount of C249-0507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C249-0507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C249-0507
  • 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 C249-0507 available by request