5119-0537 Screening compound: ethyl 3,3,3-trifluoro-2-[(2-fluorophenyl)formamido]-2-[(4-methylpyridin-2-yl)amino]propanoate

5119-0537 Screening compound: ethyl 3,3,3-trifluoro-2-[(2-fluorophenyl)formamido]-2-[(4-methylpyridin-2-yl)amino]propanoate
5119-0537 Screening compound: ethyl 3,3,3-trifluoro-2-[(2-fluorophenyl)formamido]-2-[(4-methylpyridin-2-yl)amino]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5119-0537
ethyl 3,3,3-trifluoro-2-[(2-fluorophenyl)formamido]-2-[(4-methylpyridin-2-yl)amino]propanoate

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

5119-0537

Molecular Formula

C18H17F4N3O3 (C18 H17 F4 N3 O3)

Compound Name

ethyl 3,3,3-trifluoro-2-[(2-fluorophenyl)formamido]-2-[(4-methylpyridin-2-yl)amino]propanoate

IUPAC name

ethyl 333-trifluoro-2-[(2-fluorophenyl)formamido]-2-[(4-methylpyridin-2-yl)amino]propanoate

SMILES

CCOC(C(C(F)(F)F)(NC(c(cccc1)c1F)=O)Nc1nccc(C)c1)=O

InChI

InChI=1S/C18H17F4N3O3/c1-3-28-16(27)17(18(20,21)22,24-14-10-11(2)8-9-23-14)25-15(26)12-6-4-5-7-13(12)19/h4-10H,3H2,1-2H3,(H,23,24)(H,25,26)/t17-/m0/s1

InChI Key

UTESAIZVDHXYFL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00788890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.684

Distribution Coefficient, logD

1.904

Water Solubility, LogSw

-3.93

Polar Surface Area

63.895

Acid Dissociation Constant (pKa)

5.63

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

5119-0537 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5119-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5119-0537?
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What is the minimum amount of 5119-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5119-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5119-0537
  • 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 5119-0537 available by request