C115-0073 Screening compound: N-[3-(diethylamino)propyl]-2-[2-(3-methyl-1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]acetamide

C115-0073 Screening compound: N-[3-(diethylamino)propyl]-2-[2-(3-methyl-1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]acetamide
C115-0073 Screening compound: N-[3-(diethylamino)propyl]-2-[2-(3-methyl-1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C115-0073
N-[3-(diethylamino)propyl]-2-[2-(3-methyl-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

C115-0073

Molecular Formula

C21H30N4O3 (C21 H30 N4 O3)

Compound Name

N-[3-(diethylamino)propyl]-2-[2-(3-methyl-1-oxo-1,2-dihydroisoquinolin-2-yl)acetamido]acetamide

IUPAC name

N-[3-(diethylamino)propyl]-2-[2-(3-methyl-1-oxo-12-dihydroisoquinolin-2-yl)acetamido]acetamide

SMILES

CCN(CC)CCCNC(CNC(CN(C(C)=Cc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C21H30N4O3/c1-4-24(5-2)12-8-11-22-19(26)14-23-20(27)15-25-16(3)13-17-9-6-7-10-18(17)21(25)28/h6-7,9-10,13H,4-5,8,11-12,14-15H2,1-3H3,(H,22,26)(H,23,27)

InChI Key

AGBLJQDPUYKGNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.639

Distribution Coefficient, logD

-1.140

Water Solubility, LogSw

-2.57

Polar Surface Area

67.623

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

10.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

C115-0073 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C115-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C115-0073?
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What is the minimum amount of C115-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C115-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C115-0073
  • 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 C115-0073 available by request