C168-0095 Screening compound: N-butyl-N-methyl-2-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]acetamide

C168-0095 Screening compound: N-butyl-N-methyl-2-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]acetamide
C168-0095 Screening compound: N-butyl-N-methyl-2-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C168-0095
N-butyl-N-methyl-2-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]acetamide

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

C168-0095

Molecular Formula

C18H23N3O3 (C18 H23 N3 O3)

Compound Name

N-butyl-N-methyl-2-[2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]acetamide

IUPAC name

N-butyl-N-methyl-2-[2-(1-oxo-12-dihydroisoquinolin-2-yl)acetamido]acetamide

SMILES

CCCCN(C)C(CNC(CN(C=Cc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C18H23N3O3/c1-3-4-10-20(2)17(23)12-19-16(22)13-21-11-9-14-7-5-6-8-15(14)18(21)24/h5-9,11H,3-4,10,12-13H2,1-2H3,(H,19,22)

InChI Key

IWPDZQZKAISPRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.075

Distribution Coefficient, logD

1.075

Water Solubility, LogSw

-2.44

Polar Surface Area

56.297

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

C168-0095 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C168-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C168-0095?
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What is the minimum amount of C168-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C168-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C168-0095
  • 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 C168-0095 available by request