C249-0482 Screening compound: ethyl 2-{[(4E)-1-(4-ethoxyphenyl)-5-oxo-4-{[4-(propan-2-yloxy)phenyl]methylidene}-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetate

C249-0482 Screening compound: ethyl 2-{[(4E)-1-(4-ethoxyphenyl)-5-oxo-4-{[4-(propan-2-yloxy)phenyl]methylidene}-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetate
C249-0482 Screening compound: ethyl 2-{[(4E)-1-(4-ethoxyphenyl)-5-oxo-4-{[4-(propan-2-yloxy)phenyl]methylidene}-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C249-0482
ethyl 2-{[(4E)-1-(4-ethoxyphenyl)-5-oxo-4-{[4-(propan-2-yloxy)phenyl]methylidene}-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

C249-0482

Molecular Formula

C25H28N2O5S (C25 H28 N2 O5 S)

Compound Name

ethyl 2-{[(4E)-1-(4-ethoxyphenyl)-5-oxo-4-{[4-(propan-2-yloxy)phenyl]methylidene}-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[(4E)-1-(4-ethoxyphenyl)-5-oxo-4-{[4-(propan-2-yloxy)phenyl]methylidene}-45-dihydro-1H-imidazol-2-yl]sulfanyl}acetate

SMILES

CCOC(CSC(N(C1=O)c(cc2)ccc2OCC)=N/C1=C/c(cc1)ccc1OC(C)C)=O

InChI

InChI=1S/C25H28N2O5S/c1-5-30-20-13-9-19(10-14-20)27-24(29)22(26-25(27)33-16-23(28)31-6-2)15-18-7-11-21(12-8-18)32-17(3)4/h7-15,17H,5-6,16H2,1-4H3

InChI Key

QJHWWRRCSKNTEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.748

Distribution Coefficient, logD

4.748

Water Solubility, LogSw

-4.35

Polar Surface Area

59.706

Acid Dissociation Constant (pKa)

28.56

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with C249-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C249-0482?
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What is the minimum amount of C249-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C249-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C249-0482
  • 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 C249-0482 available by request