V022-4526 Screening compound: 2-methylpropyl 1-[(4-bromophenyl)methyl]-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate

V022-4526 Screening compound: 2-methylpropyl 1-[(4-bromophenyl)methyl]-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
V022-4526 Screening compound: 2-methylpropyl 1-[(4-bromophenyl)methyl]-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-4526
2-methylpropyl 1-[(4-bromophenyl)methyl]-2-methyl-6-oxo-4-[4-(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

V022-4526

Molecular Formula

C25H25BrF3NO3 (C25 H25 BrF3 NO3)

Compound Name

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

IUPAC name

2-methylpropyl 1-[(4-bromophenyl)methyl]-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1456-tetrahydropyridine-3-carboxylate

SMILES

CC(C)COC(C(C(C1)c2ccc(C(F)(F)F)cc2)=C(C)N(Cc(cc2)ccc2Br)C1=O)=O

InChI

InChI=1S/C25H25BrF3NO3/c1-15(2)14-33-24(32)23-16(3)30(13-17-4-10-20(26)11-5-17)22(31)12-21(23)18-6-8-19(9-7-18)25(27,28)29/h4-11,15,21H,12-14H2,1-3H3/t21-/m1/s1

InChI Key

GBTQSPMDZAVLGK-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19907294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.38

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

6.406

Distribution Coefficient, logD

6.406

Water Solubility, LogSw

-5.82

Polar Surface Area

36.977

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with V022-4526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-4526?
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What is the minimum amount of V022-4526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-4526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-4526
  • 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 V022-4526 available by request