8012-7050 Screening compound: 3,3,3-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(trifluoromethyl)propanamide

8012-7050 Screening compound: 3,3,3-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(trifluoromethyl)propanamide
8012-7050 Screening compound: 3,3,3-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(trifluoromethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7050
3,3,3-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(trifluoromethyl)propanamide

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

8012-7050

Molecular Formula

C16H9F7N2O4 (C16 H9 F7 N2 O4)

Compound Name

3,3,3-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(trifluoromethyl)propanamide

IUPAC name

333-trifluoro-N-[3-(4-fluorophenoxy)-5-nitrophenyl]-2-(trifluoromethyl)propanamide

SMILES

[O-][N+](c1cc(NC(C(C(F)(F)F)C(F)(F)F)=O)cc(Oc(cc2)ccc2F)c1)=O

InChI

InChI=1S/C16H9F7N2O4/c17-8-1-3-11(4-2-8)29-12-6-9(5-10(7-12)25(27)28)24-14(26)13(15(18,19)20)16(21,22)23/h1-7,13H,(H,24,26)

InChI Key

PSYIUHNJCRERPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03034821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.277

Distribution Coefficient, logD

5.276

Water Solubility, LogSw

-5.51

Polar Surface Area

63.730

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 8012-7050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7050?
Check Price and Availability of 8012-7050, 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 8012-7050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7050
  • 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 8012-7050 available by request