V022-5016 Screening compound: allyl 1-(2,4-difluorobenzyl)-4-(2,4-difluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

V022-5016 Screening compound: allyl 1-(2,4-difluorobenzyl)-4-(2,4-difluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
V022-5016 Screening compound: allyl 1-(2,4-difluorobenzyl)-4-(2,4-difluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-5016
allyl 1-(2,4-difluorobenzyl)-4-(2,4-difluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

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

V022-5016

Molecular Formula

C23H19F4NO3 (C23 H19 F4 NO3)

Compound Name

allyl 1-(2,4-difluorobenzyl)-4-(2,4-difluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

IUPAC name

prop-2-en-1-yl 4-(24-difluorophenyl)-1-[(24-difluorophenyl)methyl]-2-methyl-6-oxo-1456-tetrahydropyridine-3-carboxylate

SMILES

CC(N(Cc(ccc(F)c1)c1F)C(CC1c(ccc(F)c2)c2F)=O)=C1C(OCC=C)=O

InChI

InChI=1S/C23H19F4NO3/c1-3-8-31-23(30)22-13(2)28(12-14-4-5-15(24)9-19(14)26)21(29)11-18(22)17-7-6-16(25)10-20(17)27/h3-7,9-10,18H,1,8,11-12H2,2H3/t18-/m0/s1

InChI Key

ZRHGHYWFEZMTMM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19907191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.486

Distribution Coefficient, logD

4.486

Water Solubility, LogSw

-4.37

Polar Surface Area

36.896

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.74

References: we are preparing a list of scientific research reports with V022-5016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-5016?
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What is the minimum amount of V022-5016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-5016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-5016
  • 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 V022-5016 available by request