4672-0457 Screening compound: (2E)-3-[4-(propan-2-yl)phenyl]-N-[2-(trifluoromethyl)phenyl]prop-2-enamide

4672-0457 Screening compound: (2E)-3-[4-(propan-2-yl)phenyl]-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
4672-0457 Screening compound: (2E)-3-[4-(propan-2-yl)phenyl]-N-[2-(trifluoromethyl)phenyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4672-0457
(2E)-3-[4-(propan-2-yl)phenyl]-N-[2-(trifluoromethyl)phenyl]prop-2-enamide

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

4672-0457

Molecular Formula

C19H18F3NO (C19 H18 F3 NO)

Compound Name

(2E)-3-[4-(propan-2-yl)phenyl]-N-[2-(trifluoromethyl)phenyl]prop-2-enamide

IUPAC name

(2E)-3-[4-(propan-2-yl)phenyl]-N-[2-(trifluoromethyl)phenyl]prop-2-enamide

SMILES

CC(C)c1ccc(/C=C/C(Nc2c(C(F)(F)F)cccc2)=O)cc1

InChI

InChI=1S/C19H18F3NO/c1-13(2)15-10-7-14(8-11-15)9-12-18(24)23-17-6-4-3-5-16(17)19(20,21)22/h3-13H,1-2H3,(H,23,24)

InChI Key

FJLRIIPAMRNZQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03062919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.35

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.850

Distribution Coefficient, logD

5.850

Water Solubility, LogSw

-5.61

Polar Surface Area

22.418

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

4672-0457 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4672-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4672-0457?
Check Price and Availability of 4672-0457, 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 4672-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4672-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4672-0457
  • 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 4672-0457 available by request