8222-0069 Screening compound: N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-3-methylbenzamide

8222-0069 Screening compound: N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-3-methylbenzamide
8222-0069 Screening compound: N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8222-0069
N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-3-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

8222-0069

Molecular Formula

C23H22F3N3O2 (C23 H22 F3 N3 O2)

Compound Name

N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-3-methylbenzamide

IUPAC name

N-[1-cyclopentyl-5-oxo-2-phenyl-4-(trifluoromethyl)-45-dihydro-1H-imidazol-4-yl]-3-methylbenzamide

SMILES

Cc1cccc(C(NC2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCC3)C2=O)=O)c1

InChI

InChI=1S/C23H22F3N3O2/c1-15-8-7-11-17(14-15)20(30)28-22(23(24,25)26)21(31)29(18-12-5-6-13-18)19(27-22)16-9-3-2-4-10-16/h2-4,7-11,14,18H,5-6,12-13H2,1H3,(H,28,30)/t22-/m0/s1

InChI Key

FSRABZGMMCZKPJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD08747297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.596

Distribution Coefficient, logD

0.847

Water Solubility, LogSw

-4.39

Polar Surface Area

50.254

Acid Dissociation Constant (pKa)

3.65

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

8222-0069 in Drug Discovery

Included in Screening Libraries

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 8222-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8222-0069?
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What is the minimum amount of 8222-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8222-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8222-0069
  • 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 8222-0069 available by request