6268-0089 Screening compound: 2-[4-(5-acetyl-1-hydroxy-4-methyl-1H-imidazol-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide

6268-0089 Screening compound: 2-[4-(5-acetyl-1-hydroxy-4-methyl-1H-imidazol-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide
6268-0089 Screening compound: 2-[4-(5-acetyl-1-hydroxy-4-methyl-1H-imidazol-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6268-0089
2-[4-(5-acetyl-1-hydroxy-4-methyl-1H-imidazol-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide

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

6268-0089

Molecular Formula

C22H22FN3O5 (C22 H22 FN3 O5)

Compound Name

2-[4-(5-acetyl-1-hydroxy-4-methyl-1H-imidazol-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide

IUPAC name

2-[4-(5-acetyl-1-hydroxy-4-methyl-1H-imidazol-2-yl)-2-ethoxyphenoxy]-N-(4-fluorophenyl)acetamide

SMILES

CCOc(cc(cc1)-c2nc(C)c(C(C)=O)n2O)c1OCC(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C22H22FN3O5/c1-4-30-19-11-15(22-24-13(2)21(14(3)27)26(22)29)5-10-18(19)31-12-20(28)25-17-8-6-16(23)7-9-17/h5-11,29H,4,12H2,1-3H3,(H,25,28)

InChI Key

RWOYAUNBGJCPSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.487

Distribution Coefficient, logD

0.413

Water Solubility, LogSw

-2.97

Polar Surface Area

78.874

Acid Dissociation Constant (pKa)

5.33

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

6268-0089 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6268-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6268-0089?
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What is the minimum amount of 6268-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6268-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6268-0089
  • 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 6268-0089 available by request