C249-0245 Screening compound: ethyl 4-{[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-[(thiophen-3-yl)methylidene]-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}butanoate

C249-0245 Screening compound: ethyl 4-{[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-[(thiophen-3-yl)methylidene]-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}butanoate
C249-0245 Screening compound: ethyl 4-{[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-[(thiophen-3-yl)methylidene]-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C249-0245
ethyl 4-{[(4Z)-1-(3-chloro-4-methoxyphenyl)-5-oxo-4-[(thiophen-3-yl)methylidene]-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}butanoate

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

C249-0245

Molecular Formula

C21H21ClN2O4S2 (C21 H21 ClN2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CCCSC(N(C1=O)c(cc2)cc(Cl)c2OC)=N/C1=C\c1cscc1)=O

InChI

InChI=1S/C21H21ClN2O4S2/c1-3-28-19(25)5-4-9-30-21-23-17(11-14-8-10-29-13-14)20(26)24(21)15-6-7-18(27-2)16(22)12-15/h6-8,10-13H,3-5,9H2,1-2H3

InChI Key

IZCPLXSDJKFVID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.99

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.338

Distribution Coefficient, logD

4.338

Water Solubility, LogSw

-4.58

Polar Surface Area

54.429

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C249-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C249-0245?
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What is the minimum amount of C249-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C249-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C249-0245
  • 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 C249-0245 available by request