8222-0071 Screening compound: N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-2-methoxybenzamide

8222-0071 Screening compound: N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-2-methoxybenzamide
8222-0071 Screening compound: N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8222-0071
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-2-methoxybenzamide

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

8222-0071

Molecular Formula

C23H22F3N3O3 (C23 H22 F3 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1C(NC1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCC2)C1=O)=O

InChI

InChI=1S/C23H22F3N3O3/c1-32-18-14-8-7-13-17(18)20(30)28-22(23(24,25)26)21(31)29(16-11-5-6-12-16)19(27-22)15-9-3-2-4-10-15/h2-4,7-10,13-14,16H,5-6,11-12H2,1H3,(H,28,30)/t22-/m0/s1

InChI Key

GVVJGAIVRUEBDZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD08747469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.050

Distribution Coefficient, logD

-0.443

Water Solubility, LogSw

-4.38

Polar Surface Area

57.885

Acid Dissociation Constant (pKa)

2.91

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

8222-0071 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8222-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8222-0071?
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What is the minimum amount of 8222-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8222-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8222-0071
  • 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 8222-0071 available by request