C249-0567 Screening compound: ethyl 4-[(4Z)-2-(ethylsulfanyl)-4-[(2-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl]benzoate

C249-0567 Screening compound: ethyl 4-[(4Z)-2-(ethylsulfanyl)-4-[(2-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl]benzoate
C249-0567 Screening compound: ethyl 4-[(4Z)-2-(ethylsulfanyl)-4-[(2-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C249-0567
ethyl 4-[(4Z)-2-(ethylsulfanyl)-4-[(2-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl]benzoate

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

C249-0567

Molecular Formula

C22H22N2O3S (C22 H22 N2 O3 S)

Compound Name

ethyl 4-[(4Z)-2-(ethylsulfanyl)-4-[(2-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl]benzoate

IUPAC name

ethyl 4-[(4Z)-2-(ethylsulfanyl)-4-[(2-methylphenyl)methylidene]-5-oxo-45-dihydro-1H-imidazol-1-yl]benzoate

SMILES

CCOC(c(cc1)ccc1N(C1=O)C(SCC)=N/C1=C\c1c(C)cccc1)=O

InChI

InChI=1S/C22H22N2O3S/c1-4-27-21(26)16-10-12-18(13-11-16)24-20(25)19(23-22(24)28-5-2)14-17-9-7-6-8-15(17)3/h6-14H,4-5H2,1-3H3

InChI Key

MVLHRGCLMSWWSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.097

Distribution Coefficient, logD

5.097

Water Solubility, LogSw

-4.85

Polar Surface Area

46.375

Acid Dissociation Constant (pKa)

27.63

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with C249-0567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C249-0567?
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What is the minimum amount of C249-0567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C249-0567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C249-0567
  • 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 C249-0567 available by request