C276-1538 Screening compound: cycloheptyl 4-(3-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

C276-1538 Screening compound: cycloheptyl 4-(3-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
C276-1538 Screening compound: cycloheptyl 4-(3-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1538
cycloheptyl 4-(3-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

C276-1538

Molecular Formula

C20H24ClNO3 (C20 H24 ClNO3)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(CC1c2cccc(Cl)c2)=O)=C1C(OC1CCCCCC1)=O

InChI

InChI=1S/C20H24ClNO3/c1-13-19(20(24)25-16-9-4-2-3-5-10-16)17(12-18(23)22-13)14-7-6-8-15(21)11-14/h6-8,11,16-17H,2-5,9-10,12H2,1H3,(H,22,23)/t17-/m0/s1

InChI Key

ZHMUALKWRPKNJM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD07613438

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

4.723

Distribution Coefficient, logD

3.783

Water Solubility, LogSw

-4.85

Polar Surface Area

44.854

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C276-1538 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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 C276-1538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1538?
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What is the minimum amount of C276-1538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1538
  • 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 C276-1538 available by request