3170-5218 Screening compound: 3-phenylpropyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

3170-5218 Screening compound: 3-phenylpropyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
3170-5218 Screening compound: 3-phenylpropyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3170-5218
3-phenylpropyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-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

3170-5218

Molecular Formula

C22H21ClFNO3 (C22 H21 ClFNO3)

Compound Name

3-phenylpropyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

IUPAC name

3-phenylpropyl 4-(2-chloro-6-fluorophenyl)-2-methyl-6-oxo-1456-tetrahydropyridine-3-carboxylate

SMILES

CC(NC(CC1c(c(F)ccc2)c2Cl)=O)=C1C(OCCCc1ccccc1)=O

InChI

InChI=1S/C22H21ClFNO3/c1-14-20(22(27)28-12-6-9-15-7-3-2-4-8-15)16(13-19(26)25-14)21-17(23)10-5-11-18(21)24/h2-5,7-8,10-11,16H,6,9,12-13H2,1H3,(H,25,26)/t16-/m0/s1

InChI Key

JNTLLDXNFSOUMU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02038569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.584

Distribution Coefficient, logD

3.918

Water Solubility, LogSw

-4.59

Polar Surface Area

45.215

Acid Dissociation Constant (pKa)

6.84

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 3170-5218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3170-5218?
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What is the minimum amount of 3170-5218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3170-5218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3170-5218
  • 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 3170-5218 available by request