C249-0230 Screening compound: ethyl 2-{[(4Z)-1-(3-chloro-4-methoxyphenyl)-4-[(3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetate

C249-0230 Screening compound: ethyl 2-{[(4Z)-1-(3-chloro-4-methoxyphenyl)-4-[(3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetate
C249-0230 Screening compound: ethyl 2-{[(4Z)-1-(3-chloro-4-methoxyphenyl)-4-[(3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C249-0230
ethyl 2-{[(4Z)-1-(3-chloro-4-methoxyphenyl)-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

C249-0230

Molecular Formula

C22H21ClN2O4S (C22 H21 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CSC(N(C1=O)c(cc2)cc(Cl)c2OC)=N/C1=C\c1cc(C)ccc1)=O

InChI

InChI=1S/C22H21ClN2O4S/c1-4-29-20(26)13-30-22-24-18(11-15-7-5-6-14(2)10-15)21(27)25(22)16-8-9-19(28-3)17(23)12-16/h5-12H,4,13H2,1-3H3

InChI Key

YXMDUMLZPMWBDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.561

Distribution Coefficient, logD

4.561

Water Solubility, LogSw

-4.62

Polar Surface Area

53.410

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with C249-0230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C249-0230?
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What is the minimum amount of C249-0230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C249-0230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C249-0230
  • 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 C249-0230 available by request