C237-0243 Screening compound: N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide

C237-0243 Screening compound: N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide
C237-0243 Screening compound: N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C237-0243
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3,5-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]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

C237-0243

Molecular Formula

C31H40N4O4 (C31 H40 N4 O4)

Compound Name

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

IUPAC name

N'-[2-(34-dimethoxyphenyl)ethyl]-N-[2-(35-dimethylpiperidin-1-yl)-4-methylquinolin-6-yl]butanediamide

SMILES

CC(CC(C)C1)CN1c1cc(C)c(cc(cc2)NC(CCC(NCCc(cc3)cc(OC)c3OC)=O)=O)c2n1

InChI

InChI=1S/C31H40N4O4/c1-20-14-21(2)19-35(18-20)29-15-22(3)25-17-24(7-8-26(25)34-29)33-31(37)11-10-30(36)32-13-12-23-6-9-27(38-4)28(16-23)39-5/h6-9,15-17,20-21H,10-14,18-19H2,1-5H3,(H,32,36)(H,33,37)

InChI Key

RISYPMJKECNTMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.479

Distribution Coefficient, logD

4.479

Water Solubility, LogSw

-4.44

Polar Surface Area

73.804

Acid Dissociation Constant (pKa)

11.10

Base Dissociation Constant (pKb)

9.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.20

C237-0243 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C237-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C237-0243?
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What is the minimum amount of C237-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C237-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C237-0243
  • 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 C237-0243 available by request