C066-1385 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-(1-OXO-1,2-DIHYDROISOQUINOLIN-2-YL)ACETAMIDE

C066-1385 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-(1-OXO-1,2-DIHYDROISOQUINOLIN-2-YL)ACETAMIDE
C066-1385 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-(1-OXO-1,2-DIHYDROISOQUINOLIN-2-YL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1385
N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-(1-OXO-1,2-DIHYDROISOQUINOLIN-2-YL)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

C066-1385

Molecular Formula

C19H16N2O4 (C19 H16 N2 O4)

Compound Name

N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-(1-OXO-1,2-DIHYDROISOQUINOLIN-2-YL)ACETAMIDE

IUPAC name

n/a

SMILES

O=C(CN(C=Cc1c2cccc1)C2=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C19H16N2O4/c22-18(20-10-13-5-6-16-17(9-13)25-12-24-16)11-21-8-7-14-3-1-2-4-15(14)19(21)23/h1-9H,10-12H2,(H,20,22)

InChI Key

OSDPFIZBBLRZEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.951

Distribution Coefficient, logD

1.951

Water Solubility, LogSw

-2.95

Polar Surface Area

57.268

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C066-1385 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C066-1385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1385?
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What is the minimum amount of C066-1385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1385
  • 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 C066-1385 available by request