8019-0904 Screening compound: ethyl 3,3,3-trifluoro-2-{[(2-methylphenyl)carbamoyl]amino}-2-phenylpropanoate

8019-0904 Screening compound: ethyl 3,3,3-trifluoro-2-{[(2-methylphenyl)carbamoyl]amino}-2-phenylpropanoate
8019-0904 Screening compound: ethyl 3,3,3-trifluoro-2-{[(2-methylphenyl)carbamoyl]amino}-2-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0904
ethyl 3,3,3-trifluoro-2-{[(2-methylphenyl)carbamoyl]amino}-2-phenylpropanoate

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

8019-0904

Molecular Formula

C19H19F3N2O3 (C19 H19 F3 N2 O3)

Compound Name

ethyl 3,3,3-trifluoro-2-{[(2-methylphenyl)carbamoyl]amino}-2-phenylpropanoate

IUPAC name

ethyl 333-trifluoro-2-{[(2-methylphenyl)carbamoyl]amino}-2-phenylpropanoate

SMILES

CCOC(C(C(F)(F)F)(c1ccccc1)NC(Nc1c(C)cccc1)=O)=O

InChI

InChI=1S/C19H19F3N2O3/c1-3-27-16(25)18(19(20,21)22,14-10-5-4-6-11-14)24-17(26)23-15-12-8-7-9-13(15)2/h4-12H,3H2,1-2H3,(H2,23,24,26)/t18-/m1/s1

InChI Key

AIWQYFCYHLHMCE-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01655595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.37

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

4.454

Distribution Coefficient, logD

3.937

Water Solubility, LogSw

-4.19

Polar Surface Area

53.310

Acid Dissociation Constant (pKa)

7.04

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

8019-0904 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-0904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0904?
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What is the minimum amount of 8019-0904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0904
  • 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 8019-0904 available by request