8011-3291 Screening compound: phenethyl 4-(3-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

8011-3291 Screening compound: phenethyl 4-(3-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
8011-3291 Screening compound: phenethyl 4-(3-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-3291
phenethyl 4-(3-chlorophenyl)-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

8011-3291

Molecular Formula

C21H20ClNO3 (C21 H20 ClNO3)

Compound Name

phenethyl 4-(3-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

IUPAC name

2-phenylethyl 4-(3-chlorophenyl)-2-methyl-6-oxo-1456-tetrahydropyridine-3-carboxylate

SMILES

CC(NC(CC1c2cccc(Cl)c2)=O)=C1C(OCCc1ccccc1)=O

InChI

InChI=1S/C21H20ClNO3/c1-14-20(21(25)26-11-10-15-6-3-2-4-7-15)18(13-19(24)23-14)16-8-5-9-17(22)12-16/h2-9,12,18H,10-11,13H2,1H3,(H,23,24)/t18-/m0/s1

InChI Key

ULKUIKKXALTIEE-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02038559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.85

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

4.177

Distribution Coefficient, logD

3.237

Water Solubility, LogSw

-4.48

Polar Surface Area

45.215

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.81

References: we are preparing a list of scientific research reports with 8011-3291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-3291?
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What is the minimum amount of 8011-3291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-3291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-3291
  • 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 8011-3291 available by request