C276-1087 Screening compound: (4-methylphenyl)methyl 2-methyl-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

C276-1087 Screening compound: (4-methylphenyl)methyl 2-methyl-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
C276-1087 Screening compound: (4-methylphenyl)methyl 2-methyl-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1087
(4-methylphenyl)methyl 2-methyl-4-(2-methylphenyl)-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

C276-1087

Molecular Formula

C22H23NO3 (C22 H23 NO3)

Compound Name

(4-methylphenyl)methyl 2-methyl-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

IUPAC name

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

SMILES

Cc1ccc(COC(C(C(C2)c3c(C)cccc3)=C(C)NC2=O)=O)cc1

InChI

InChI=1S/C22H23NO3/c1-14-8-10-17(11-9-14)13-26-22(25)21-16(3)23-20(24)12-19(21)18-7-5-4-6-15(18)2/h4-11,19H,12-13H2,1-3H3,(H,23,24)/t19-/m1/s1

InChI Key

UZHRNEBMEQJISW-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06759533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.030

Distribution Coefficient, logD

3.309

Water Solubility, LogSw

-4.27

Polar Surface Area

45.297

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

C276-1087 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C276-1087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1087?
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What is the minimum amount of C276-1087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1087
  • 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 C276-1087 available by request