C249-0191 Screening compound: ethyl 4-{[(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}butanoate

C249-0191 Screening compound: ethyl 4-{[(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}butanoate
C249-0191 Screening compound: ethyl 4-{[(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-1-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C249-0191
ethyl 4-{[(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-1-(4-methoxyphenyl)-5-oxo-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

C249-0191

Molecular Formula

C25H28N2O6S (C25 H28 N2 O6 S)

Compound Name

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

IUPAC name

ethyl 4-{[(4Z)-4-[(24-dimethoxyphenyl)methylidene]-1-(4-methoxyphenyl)-5-oxo-45-dihydro-1H-imidazol-2-yl]sulfanyl}butanoate

SMILES

CCOC(CCCSC(N(C1=O)c(cc2)ccc2OC)=N/C1=C\c(ccc(OC)c1)c1OC)=O

InChI

InChI=1S/C25H28N2O6S/c1-5-33-23(28)7-6-14-34-25-26-21(15-17-8-11-20(31-3)16-22(17)32-4)24(29)27(25)18-9-12-19(30-2)13-10-18/h8-13,15-16H,5-7,14H2,1-4H3

InChI Key

HOFLBXIMMHSERL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.363

Distribution Coefficient, logD

4.363

Water Solubility, LogSw

-4.30

Polar Surface Area

68.498

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with C249-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C249-0191?
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What is the minimum amount of C249-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C249-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C249-0191
  • 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 C249-0191 available by request