C249-0523 Screening compound: (4Z)-1-(3-chloro-4-methoxyphenyl)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(ethylsulfanyl)-4,5-dihydro-1H-imidazol-5-one

C249-0523 Screening compound: (4Z)-1-(3-chloro-4-methoxyphenyl)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(ethylsulfanyl)-4,5-dihydro-1H-imidazol-5-one
C249-0523 Screening compound: (4Z)-1-(3-chloro-4-methoxyphenyl)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(ethylsulfanyl)-4,5-dihydro-1H-imidazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C249-0523
(4Z)-1-(3-chloro-4-methoxyphenyl)-4-[(4-ethoxy-3-methoxyphenyl)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

C249-0523

Molecular Formula

C22H23ClN2O4S (C22 H23 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(/C=C(/C(N1c(cc2)cc(Cl)c2OC)=O)\N=C1SCC)c1)c1OC

InChI

InChI=1S/C22H23ClN2O4S/c1-5-29-19-9-7-14(12-20(19)28-4)11-17-21(26)25(22(24-17)30-6-2)15-8-10-18(27-3)16(23)13-15/h7-13H,5-6H2,1-4H3

InChI Key

AEWQCXRYJUUKRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.408

Distribution Coefficient, logD

4.408

Water Solubility, LogSw

-4.72

Polar Surface Area

48.092

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C249-0523 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 C249-0523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C249-0523?
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What is the minimum amount of C249-0523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C249-0523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C249-0523
  • 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 C249-0523 available by request