C249-0531 Screening compound: ethyl 2-{[(4Z)-1-(4-ethoxyphenyl)-4-[(3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetate

C249-0531 Screening compound: ethyl 2-{[(4Z)-1-(4-ethoxyphenyl)-4-[(3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetate
C249-0531 Screening compound: ethyl 2-{[(4Z)-1-(4-ethoxyphenyl)-4-[(3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C249-0531
ethyl 2-{[(4Z)-1-(4-ethoxyphenyl)-4-[(3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetate

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

C249-0531

Molecular Formula

C23H24N2O4S (C23 H24 N2 O4 S)

Compound Name

ethyl 2-{[(4Z)-1-(4-ethoxyphenyl)-4-[(3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[(4Z)-1-(4-ethoxyphenyl)-4-[(3-methylphenyl)methylidene]-5-oxo-45-dihydro-1H-imidazol-2-yl]sulfanyl}acetate

SMILES

CCOC(CSC(N(C1=O)c(cc2)ccc2OCC)=N/C1=C\c1cc(C)ccc1)=O

InChI

InChI=1S/C23H24N2O4S/c1-4-28-19-11-9-18(10-12-19)25-22(27)20(14-17-8-6-7-16(3)13-17)24-23(25)30-15-21(26)29-5-2/h6-14H,4-5,15H2,1-3H3

InChI Key

GKAYDULSILIZCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.555

Distribution Coefficient, logD

4.555

Water Solubility, LogSw

-4.39

Polar Surface Area

52.903

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C249-0531 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C249-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C249-0531?
Check Price and Availability of C249-0531, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C249-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C249-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C249-0531
  • 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 C249-0531 available by request