8222-0079 Screening compound: N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-4-methylbenzamide

8222-0079 Screening compound: N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-4-methylbenzamide
8222-0079 Screening compound: N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8222-0079
N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-4-methylbenzamide

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

8222-0079

Molecular Formula

C25H20F3N3O2 (C25 H20 F3 N3 O2)

Compound Name

N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-4-methylbenzamide

IUPAC name

N-[1-benzyl-5-oxo-2-phenyl-4-(trifluoromethyl)-45-dihydro-1H-imidazol-4-yl]-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(NC1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccccc2)C1=O)=O

InChI

InChI=1S/C25H20F3N3O2/c1-17-12-14-20(15-13-17)22(32)30-24(25(26,27)28)23(33)31(16-18-8-4-2-5-9-18)21(29-24)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,30,32)/t24-/m0/s1

InChI Key

PZYLDOPQYSARIS-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD08098192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.229

Distribution Coefficient, logD

1.918

Water Solubility, LogSw

-5.10

Polar Surface Area

50.667

Acid Dissociation Constant (pKa)

4.09

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

8222-0079 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8222-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8222-0079?
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What is the minimum amount of 8222-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8222-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8222-0079
  • 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 8222-0079 available by request