C126-0078 Screening compound: 6-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]pyridine-3-carboxamide

C126-0078 Screening compound: 6-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]pyridine-3-carboxamide
C126-0078 Screening compound: 6-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C126-0078
6-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]pyridine-3-carboxamide

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

C126-0078

Molecular Formula

C20H21ClN4O (C20 H21 ClN4 O)

Compound Name

6-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]pyridine-3-carboxamide

IUPAC name

6-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]pyridine-3-carboxamide

SMILES

CCN(CC)c1cc(C)c(cc(cc2)NC(c(cc3)cnc3Cl)=O)c2n1

InChI

InChI=1S/C20H21ClN4O/c1-4-25(5-2)19-10-13(3)16-11-15(7-8-17(16)24-19)23-20(26)14-6-9-18(21)22-12-14/h6-12H,4-5H2,1-3H3,(H,23,26)

InChI Key

BIBYIYLVNBTTNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.814

Distribution Coefficient, logD

4.784

Water Solubility, LogSw

-4.82

Polar Surface Area

42.864

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C126-0078 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C126-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C126-0078?
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What is the minimum amount of C126-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C126-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C126-0078
  • 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 C126-0078 available by request