G842-0751 Screening compound: methyl 2-(2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-amido)benzoate

G842-0751 Screening compound: methyl 2-(2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-amido)benzoate
G842-0751 Screening compound: methyl 2-(2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G842-0751
methyl 2-(2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-amido)benzoate

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

G842-0751

Molecular Formula

C22H17F3N2O4 (C22 H17 F3 N2 O4)

Compound Name

methyl 2-(2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-amido)benzoate

IUPAC name

methyl 2-(2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-12-dihydropyridine-3-amido)benzoate

SMILES

COC(c(cccc1)c1NC(C1=CC=CN(Cc2cccc(C(F)(F)F)c2)C1=O)=O)=O

InChI

InChI=1S/C22H17F3N2O4/c1-31-21(30)16-8-2-3-10-18(16)26-19(28)17-9-5-11-27(20(17)29)13-14-6-4-7-15(12-14)22(23,24)25/h2-12H,13H2,1H3,(H,26,28)

InChI Key

NYTZUMYCWYNNEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08029560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.525

Distribution Coefficient, logD

0.816

Water Solubility, LogSw

-3.88

Polar Surface Area

59.520

Acid Dissociation Constant (pKa)

4.69

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with G842-0751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G842-0751?
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What is the minimum amount of G842-0751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G842-0751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G842-0751
  • 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 G842-0751 available by request