C237-0189 Screening compound: N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N'-(3-fluoro-4-methylphenyl)butanediamide

C237-0189 Screening compound: N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N'-(3-fluoro-4-methylphenyl)butanediamide
C237-0189 Screening compound: N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N'-(3-fluoro-4-methylphenyl)butanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C237-0189
N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N'-(3-fluoro-4-methylphenyl)butanediamide

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

C237-0189

Molecular Formula

C28H33FN4O2 (C28 H33 FN4 O2)

Compound Name

N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N'-(3-fluoro-4-methylphenyl)butanediamide

IUPAC name

N-[2-(35-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]-N'-(3-fluoro-4-methylphenyl)butanediamide

SMILES

CC(CC(C)C1)CN1c1cc(C)c(cc(cc2)NC(CCC(Nc3cc(F)c(C)cc3)=O)=O)c2n1

InChI

InChI=1S/C28H33FN4O2/c1-17-11-18(2)16-33(15-17)26-12-20(4)23-13-21(7-8-25(23)32-26)30-27(34)9-10-28(35)31-22-6-5-19(3)24(29)14-22/h5-8,12-14,17-18H,9-11,15-16H2,1-4H3,(H,30,34)(H,31,35)

InChI Key

OUNJORSUPGGNTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.137

Distribution Coefficient, logD

6.136

Water Solubility, LogSw

-5.54

Polar Surface Area

57.379

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

9.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.30

C237-0189 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C237-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C237-0189?
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What is the minimum amount of C237-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C237-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C237-0189
  • 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 C237-0189 available by request