C276-1101 Screening compound: cycloheptyl 4-(2-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

C276-1101 Screening compound: cycloheptyl 4-(2-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
C276-1101 Screening compound: cycloheptyl 4-(2-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1101
cycloheptyl 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

C276-1101

Molecular Formula

C20H24ClNO3 (C20 H24 ClNO3)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(CC1c(cccc2)c2Cl)=O)=C1C(OC1CCCCCC1)=O

InChI

InChI=1S/C20H24ClNO3/c1-13-19(20(24)25-14-8-4-2-3-5-9-14)16(12-18(23)22-13)15-10-6-7-11-17(15)21/h6-7,10-11,14,16H,2-5,8-9,12H2,1H3,(H,22,23)/t16-/m0/s1

InChI Key

ZDDSYCKNDIRART-INIZCTEOSA-N

MDL Number (MFCD)

MFCD06759546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.87

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

4.733

Distribution Coefficient, logD

3.934

Water Solubility, LogSw

-4.63

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

50.00

C276-1101 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C276-1101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1101?
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What is the minimum amount of C276-1101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1101
  • 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 C276-1101 available by request