V012-3721 Screening compound: benzyl 1-[(2,3-difluorophenyl)methyl]-2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate

V012-3721 Screening compound: benzyl 1-[(2,3-difluorophenyl)methyl]-2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
V012-3721 Screening compound: benzyl 1-[(2,3-difluorophenyl)methyl]-2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3721
benzyl 1-[(2,3-difluorophenyl)methyl]-2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate

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

V012-3721

Molecular Formula

C28H22F5NO3 (C28 H22 F5 NO3)

Compound Name

benzyl 1-[(2,3-difluorophenyl)methyl]-2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate

IUPAC name

benzyl 1-[(23-difluorophenyl)methyl]-2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1456-tetrahydropyridine-3-carboxylate

SMILES

CC(N(Cc1cccc(F)c1F)C(CC1c2c(C(F)(F)F)cccc2)=O)=C1C(OCc1ccccc1)=O

InChI

InChI=1S/C28H22F5NO3/c1-17-25(27(36)37-16-18-8-3-2-4-9-18)21(20-11-5-6-12-22(20)28(31,32)33)14-24(35)34(17)15-19-10-7-13-23(29)26(19)30/h2-13,21H,14-16H2,1H3/t21-/m1/s1

InChI Key

MCMFHPNNDWADMC-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19906999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.284

Distribution Coefficient, logD

6.284

Water Solubility, LogSw

-5.70

Polar Surface Area

36.706

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with V012-3721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3721?
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What is the minimum amount of V012-3721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3721
  • 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 V012-3721 available by request