C129-0042 Screening compound: 2,6-difluoro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide

C129-0042 Screening compound: 2,6-difluoro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
C129-0042 Screening compound: 2,6-difluoro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C129-0042
2,6-difluoro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide

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

C129-0042

Molecular Formula

C23H23F2N3O (C23 H23 F2 N3 O)

Compound Name

2,6-difluoro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide

IUPAC name

26-difluoro-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide

SMILES

CC(CC1)CCN1c1cc(C)c(cc(cc2)NC(c(c(F)ccc3)c3F)=O)c2n1

InChI

InChI=1S/C23H23F2N3O/c1-14-8-10-28(11-9-14)21-12-15(2)17-13-16(6-7-20(17)27-21)26-23(29)22-18(24)4-3-5-19(22)25/h3-7,12-14H,8-11H2,1-2H3,(H,26,29)

InChI Key

BQSFBLIJGULCQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.114

Distribution Coefficient, logD

6.012

Water Solubility, LogSw

-5.58

Polar Surface Area

34.576

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C129-0042 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C129-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C129-0042?
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What is the minimum amount of C129-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C129-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C129-0042
  • 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 C129-0042 available by request