D060-0158 Screening compound: (4E)-4-[(4-ethoxyphenyl)methylidene]-1-(3-methylphenyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-5-one

D060-0158 Screening compound: (4E)-4-[(4-ethoxyphenyl)methylidene]-1-(3-methylphenyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-5-one
D060-0158 Screening compound: (4E)-4-[(4-ethoxyphenyl)methylidene]-1-(3-methylphenyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D060-0158
(4E)-4-[(4-ethoxyphenyl)methylidene]-1-(3-methylphenyl)-2-(methylsulfanyl)-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

D060-0158

Molecular Formula

C20H20N2O2S (C20 H20 N2 O2 S)

Compound Name

(4E)-4-[(4-ethoxyphenyl)methylidene]-1-(3-methylphenyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-5-one

IUPAC name

(4E)-4-[(4-ethoxyphenyl)methylidene]-1-(3-methylphenyl)-2-(methylsulfanyl)-45-dihydro-1H-imidazol-5-one

SMILES

CCOc1ccc(/C=C(\C(N2c3cc(C)ccc3)=O)/N=C2SC)cc1

InChI

InChI=1S/C20H20N2O2S/c1-4-24-17-10-8-15(9-11-17)13-18-19(23)22(20(21-18)25-3)16-7-5-6-14(2)12-16/h5-13H,4H2,1-3H3

InChI Key

KREMLAKJZJTRNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.443

Distribution Coefficient, logD

4.443

Water Solubility, LogSw

-4.34

Polar Surface Area

32.745

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D060-0158 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D060-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D060-0158?
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What is the minimum amount of D060-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D060-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D060-0158
  • 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 D060-0158 available by request