3334-5212 Screening compound: N-[3-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-2,2-dimethylpropanamide

3334-5212 Screening compound: N-[3-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-2,2-dimethylpropanamide
3334-5212 Screening compound: N-[3-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3334-5212
N-[3-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-2,2-dimethylpropanamide

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

3334-5212

Molecular Formula

C13H15ClF3NO2 (C13 H15 ClF3 NO2)

Compound Name

N-[3-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-2,2-dimethylpropanamide

IUPAC name

N-[3-(2-chloro-112-trifluoroethoxy)phenyl]-22-dimethylpropanamide

SMILES

CC(C)(C)C(Nc1cccc(OC(C(F)Cl)(F)F)c1)=O

InChI

InChI=1S/C13H15ClF3NO2/c1-12(2,3)11(19)18-8-5-4-6-9(7-8)20-13(16,17)10(14)15/h4-7,10H,1-3H3,(H,18,19)/t10-/m1/s1

InChI Key

ZKWLJTJNSFLHJE-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD02250206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.72

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.851

Distribution Coefficient, logD

3.851

Water Solubility, LogSw

-4.00

Polar Surface Area

29.623

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

3334-5212 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3334-5212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3334-5212?
Check Price and Availability of 3334-5212, 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 3334-5212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3334-5212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3334-5212
  • 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 3334-5212 available by request