8602-0004 Screening compound: N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-2-fluorobenzamide

8602-0004 Screening compound: N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-2-fluorobenzamide
8602-0004 Screening compound: N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8602-0004
N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-2-fluorobenzamide

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

8602-0004

Molecular Formula

C23H21F4N3O2 (C23 H21 F4 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1)c1F)NC1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O

InChI

InChI=1S/C23H21F4N3O2/c24-18-14-8-7-13-17(18)20(31)29-22(23(25,26)27)21(32)30(16-11-5-2-6-12-16)19(28-22)15-9-3-1-4-10-15/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H,29,31)/t22-/m0/s1

InChI Key

VKQMTCVVYBEPNS-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD08098165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.43

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

4.794

Distribution Coefficient, logD

0.644

Water Solubility, LogSw

-4.80

Polar Surface Area

49.888

Acid Dissociation Constant (pKa)

3.25

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

8602-0004 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

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 8602-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8602-0004?
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What is the minimum amount of 8602-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0004
  • 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 8602-0004 available by request