1611-0422 Screening compound: 2-methyl-N-[3-(2-methylprop-2-enamido)-4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enamide

1611-0422 Screening compound: 2-methyl-N-[3-(2-methylprop-2-enamido)-4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enamide
1611-0422 Screening compound: 2-methyl-N-[3-(2-methylprop-2-enamido)-4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-0422
2-methyl-N-[3-(2-methylprop-2-enamido)-4-(1,1,2,2-tetrafluoroethoxy)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

1611-0422

Molecular Formula

C16H16F4N2O3 (C16 H16 F4 N2 O3)

Compound Name

2-methyl-N-[3-(2-methylprop-2-enamido)-4-(1,1,2,2-tetrafluoroethoxy)phenyl]prop-2-enamide

IUPAC name

2-methyl-N-[3-(2-methylprop-2-enamido)-4-(1122-tetrafluoroethoxy)phenyl]prop-2-enamide

SMILES

CC(C(Nc(cc1)cc(NC(C(C)=C)=O)c1OC(C(F)F)(F)F)=O)=C

InChI

InChI=1S/C16H16F4N2O3/c1-8(2)13(23)21-10-5-6-12(25-16(19,20)15(17)18)11(7-10)22-14(24)9(3)4/h5-7,15H,1,3H2,2,4H3,(H,21,23)(H,22,24)

InChI Key

NTBIJIRLFRQDKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00497888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.709

Distribution Coefficient, logD

3.612

Water Solubility, LogSw

-4.04

Polar Surface Area

52.375

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1611-0422 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 1611-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-0422?
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What is the minimum amount of 1611-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-0422
  • 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 1611-0422 available by request