8222-0101 Screening compound: N-{1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl}-4-methylbenzamide

8222-0101 Screening compound: N-{1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl}-4-methylbenzamide
8222-0101 Screening compound: N-{1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl}-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8222-0101
N-{1-[(4-methoxyphenyl)methyl]-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

8222-0101

Molecular Formula

C26H22F3N3O3 (C26 H22 F3 N3 O3)

Compound Name

N-{1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl}-4-methylbenzamide

IUPAC name

N-{1-[(4-methoxyphenyl)methyl]-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(Cc(cc2)ccc2OC)C1=O)=O

InChI

InChI=1S/C26H22F3N3O3/c1-17-8-12-20(13-9-17)23(33)31-25(26(27,28)29)24(34)32(16-18-10-14-21(35-2)15-11-18)22(30-25)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,31,33)/t25-/m0/s1

InChI Key

ZKIAIAGHJBHRQY-VWLOTQADSA-N

MDL Number (MFCD)

MFCD08098195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.212

Distribution Coefficient, logD

1.900

Water Solubility, LogSw

-5.07

Polar Surface Area

58.211

Acid Dissociation Constant (pKa)

4.09

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

8222-0101 in Drug Discovery

Included in Screening Libraries

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 8222-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8222-0101?
Check Price and Availability of 8222-0101, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8222-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8222-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8222-0101
  • 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 8222-0101 available by request