C168-0264 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

C168-0264 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
C168-0264 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C168-0264
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-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

C168-0264

Molecular Formula

C24H35N3O4 (C24 H35 N3 O4)

Compound Name

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

N-[3-(35-dimethylpiperidin-1-yl)propyl]-2-ethyl-67-dimethoxy-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

CCN(C=C(C(NCCCN1CC(C)CC(C)C1)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C24H35N3O4/c1-6-27-15-20(18-11-21(30-4)22(31-5)12-19(18)24(27)29)23(28)25-8-7-9-26-13-16(2)10-17(3)14-26/h11-12,15-17H,6-10,13-14H2,1-5H3,(H,25,28)

InChI Key

DJOGHQKNEJJZFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.487

Distribution Coefficient, logD

-0.060

Water Solubility, LogSw

-2.78

Polar Surface Area

59.562

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

9.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.30

C168-0264 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C168-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C168-0264?
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What is the minimum amount of C168-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C168-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C168-0264
  • 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 C168-0264 available by request