8222-0064 Screening compound: N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]furan-2-carboxamide

8222-0064 Screening compound: N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]furan-2-carboxamide
8222-0064 Screening compound: N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8222-0064
N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]furan-2-carboxamide

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

8222-0064

Molecular Formula

C21H20F3N3O3 (C21 H20 F3 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccco1)NC1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O

InChI

InChI=1S/C21H20F3N3O3/c22-21(23,24)20(26-18(28)16-12-7-13-30-16)19(29)27(15-10-5-2-6-11-15)17(25-20)14-8-3-1-4-9-14/h1,3-4,7-9,12-13,15H,2,5-6,10-11H2,(H,26,28)/t20-/m0/s1

InChI Key

QNZDAIRTIDFXTK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD08098207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.084

Distribution Coefficient, logD

1.321

Water Solubility, LogSw

-4.18

Polar Surface Area

58.467

Acid Dissociation Constant (pKa)

4.64

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

8222-0064 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 8222-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8222-0064?
Check Price and Availability of 8222-0064, 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 8222-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8222-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8222-0064
  • 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 8222-0064 available by request