C276-1079 Screening compound: cyclooctyl 4-(2-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

C276-1079 Screening compound: cyclooctyl 4-(2-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
C276-1079 Screening compound: cyclooctyl 4-(2-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1079
cyclooctyl 4-(2-chlorophenyl)-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

C276-1079

Molecular Formula

C21H26ClNO3 (C21 H26 ClNO3)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(CC1c(cccc2)c2Cl)=O)=C1C(OC1CCCCCCC1)=O

InChI

InChI=1S/C21H26ClNO3/c1-14-20(21(25)26-15-9-5-3-2-4-6-10-15)17(13-19(24)23-14)16-11-7-8-12-18(16)22/h7-8,11-12,15,17H,2-6,9-10,13H2,1H3,(H,23,24)/t17-/m0/s1

InChI Key

VVZPCTNPSNKGMV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06759525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.229

Distribution Coefficient, logD

4.430

Water Solubility, LogSw

-5.57

Polar Surface Area

44.854

Acid Dissociation Constant (pKa)

6.68

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

C276-1079 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C276-1079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1079?
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What is the minimum amount of C276-1079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1079
  • 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 C276-1079 available by request