C249-0449 Screening compound: (4E)-1-(2-chloro-4-methylphenyl)-4-[(4-ethylphenyl)methylidene]-2-(prop-2-en-1-ylsulfanyl)-4,5-dihydro-1H-imidazol-5-one

C249-0449 Screening compound: (4E)-1-(2-chloro-4-methylphenyl)-4-[(4-ethylphenyl)methylidene]-2-(prop-2-en-1-ylsulfanyl)-4,5-dihydro-1H-imidazol-5-one
C249-0449 Screening compound: (4E)-1-(2-chloro-4-methylphenyl)-4-[(4-ethylphenyl)methylidene]-2-(prop-2-en-1-ylsulfanyl)-4,5-dihydro-1H-imidazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C249-0449
(4E)-1-(2-chloro-4-methylphenyl)-4-[(4-ethylphenyl)methylidene]-2-(prop-2-en-1-ylsulfanyl)-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

C249-0449

Molecular Formula

C22H21ClN2OS (C22 H21 ClN2 OS)

Compound Name

(4E)-1-(2-chloro-4-methylphenyl)-4-[(4-ethylphenyl)methylidene]-2-(prop-2-en-1-ylsulfanyl)-4,5-dihydro-1H-imidazol-5-one

IUPAC name

(4E)-1-(2-chloro-4-methylphenyl)-4-[(4-ethylphenyl)methylidene]-2-(prop-2-en-1-ylsulfanyl)-45-dihydro-1H-imidazol-5-one

SMILES

CCc1ccc(/C=C(\C(N2c(ccc(C)c3)c3Cl)=O)/N=C2SCC=C)cc1

InChI

InChI=1S/C22H21ClN2OS/c1-4-12-27-22-24-19(14-17-9-7-16(5-2)8-10-17)21(26)25(22)20-11-6-15(3)13-18(20)23/h4,6-11,13-14H,1,5,12H2,2-3H3

InChI Key

YWKXQCMKAMYWEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.285

Distribution Coefficient, logD

6.285

Water Solubility, LogSw

-6.27

Polar Surface Area

25.320

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C249-0449 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C249-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C249-0449?
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What is the minimum amount of C249-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C249-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C249-0449
  • 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 C249-0449 available by request