C276-1383 Screening compound: butan-2-yl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate

C276-1383 Screening compound: butan-2-yl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate
C276-1383 Screening compound: butan-2-yl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1383
butan-2-yl 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

C276-1383

Molecular Formula

C18H20F3NO3 (C18 H20 F3 NO3)

Compound Name

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

IUPAC name

butan-2-yl 2-methyl-6-oxo-4-[2-(trifluoromethyl)phenyl]-1456-tetrahydropyridine-3-carboxylate

SMILES

CCC(C)OC(C(C(C1)c2c(C(F)(F)F)cccc2)=C(C)NC1=O)=O

InChI

InChI=1S/C18H20F3NO3/c1-4-10(2)25-17(24)16-11(3)22-15(23)9-13(16)12-7-5-6-8-14(12)18(19,20)21/h5-8,10,13H,4,9H2,1-3H3,(H,22,23)

InChI Key

CBOISJCGTBMWKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07613311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.164

Distribution Coefficient, logD

3.224

Water Solubility, LogSw

-4.26

Polar Surface Area

44.755

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with C276-1383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1383?
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What is the minimum amount of C276-1383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1383
  • 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 C276-1383 available by request