8222-0050 Screening compound: 4-tert-butyl-N-[5-oxo-2-phenyl-1-(prop-2-en-1-yl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzamide

8222-0050 Screening compound: 4-tert-butyl-N-[5-oxo-2-phenyl-1-(prop-2-en-1-yl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzamide
8222-0050 Screening compound: 4-tert-butyl-N-[5-oxo-2-phenyl-1-(prop-2-en-1-yl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8222-0050
4-tert-butyl-N-[5-oxo-2-phenyl-1-(prop-2-en-1-yl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzamide

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

8222-0050

Molecular Formula

C24H24F3N3O2 (C24 H24 F3 N3 O2)

Compound Name

4-tert-butyl-N-[5-oxo-2-phenyl-1-(prop-2-en-1-yl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzamide

IUPAC name

4-tert-butyl-N-[5-oxo-2-phenyl-1-(prop-2-en-1-yl)-4-(trifluoromethyl)-45-dihydro-1H-imidazol-4-yl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(NC1(C(F)(F)F)N=C(c2ccccc2)N(CC=C)C1=O)=O

InChI

InChI=1S/C24H24F3N3O2/c1-5-15-30-19(16-9-7-6-8-10-16)28-23(21(30)32,24(25,26)27)29-20(31)17-11-13-18(14-12-17)22(2,3)4/h5-14H,1,15H2,2-4H3,(H,29,31)/t23-/m0/s1

InChI Key

XROLAIIYRNGFJP-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD08098353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.484

Distribution Coefficient, logD

2.173

Water Solubility, LogSw

-5.51

Polar Surface Area

50.917

Acid Dissociation Constant (pKa)

4.09

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

8222-0050 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 8222-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8222-0050?
Check Price and Availability of 8222-0050, 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 8222-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8222-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8222-0050
  • 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 8222-0050 available by request