C276-1064 Screening compound: cyclohexylmethyl 2-methyl-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

C276-1064 Screening compound: cyclohexylmethyl 2-methyl-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
C276-1064 Screening compound: cyclohexylmethyl 2-methyl-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1064
cyclohexylmethyl 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

C276-1064

Molecular Formula

C21H27NO3 (C21 H27 NO3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(C2)C(C(OCC3CCCCC3)=O)=C(C)NC2=O)cccc1

InChI

InChI=1S/C21H27NO3/c1-14-8-6-7-11-17(14)18-12-19(23)22-15(2)20(18)21(24)25-13-16-9-4-3-5-10-16/h6-8,11,16,18H,3-5,9-10,12-13H2,1-2H3,(H,22,23)/t18-/m1/s1

InChI Key

ZCSOWYZSDKBPSR-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06759511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.45

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

4.210

Distribution Coefficient, logD

3.270

Water Solubility, LogSw

-4.54

Polar Surface Area

45.489

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

C276-1064 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C276-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1064?
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What is the minimum amount of C276-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1064
  • 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 C276-1064 available by request