8017-2099 Screening compound: 5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl acetate

8017-2099 Screening compound: 5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl acetate
8017-2099 Screening compound: 5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2099
5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl acetate

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

8017-2099

Molecular Formula

C12H9F3N2O3 (C12 H9 F3 N2 O3)

Compound Name

5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl acetate

IUPAC name

5-oxo-2-phenyl-4-(trifluoromethyl)-45-dihydro-1H-imidazol-4-yl acetate

SMILES

CC(OC1(C(F)(F)F)N=C(c2ccccc2)NC1=O)=O

InChI

InChI=1S/C12H9F3N2O3/c1-7(18)20-11(12(13,14)15)10(19)16-9(17-11)8-5-3-2-4-6-8/h2-6H,1H3,(H,16,17,19)/t11-/m1/s1

InChI Key

NCSKIFVNMVMPHP-LLVKDONJSA-N

MDL Number (MFCD)

MFCD06014953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.475

Distribution Coefficient, logD

1.381

Water Solubility, LogSw

-1.97

Polar Surface Area

56.140

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8017-2099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2099?
Check Price and Availability of 8017-2099, 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 8017-2099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2099
  • 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 8017-2099 available by request