C168-0033 Screening compound: 2-(1-oxo-1,2-dihydroisoquinolin-2-yl)-N-{[(3,4,5-trimethoxyphenyl)carbamoyl]methyl}acetamide

C168-0033 Screening compound: 2-(1-oxo-1,2-dihydroisoquinolin-2-yl)-N-{[(3,4,5-trimethoxyphenyl)carbamoyl]methyl}acetamide
C168-0033 Screening compound: 2-(1-oxo-1,2-dihydroisoquinolin-2-yl)-N-{[(3,4,5-trimethoxyphenyl)carbamoyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C168-0033
2-(1-oxo-1,2-dihydroisoquinolin-2-yl)-N-{[(3,4,5-trimethoxyphenyl)carbamoyl]methyl}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

C168-0033

Molecular Formula

C22H23N3O6 (C22 H23 N3 O6)

Compound Name

2-(1-oxo-1,2-dihydroisoquinolin-2-yl)-N-{[(3,4,5-trimethoxyphenyl)carbamoyl]methyl}acetamide

IUPAC name

2-(1-oxo-12-dihydroisoquinolin-2-yl)-N-{[(345-trimethoxyphenyl)carbamoyl]methyl}acetamide

SMILES

COc1cc(NC(CNC(CN(C=Cc2c3cccc2)C3=O)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C22H23N3O6/c1-29-17-10-15(11-18(30-2)21(17)31-3)24-19(26)12-23-20(27)13-25-9-8-14-6-4-5-7-16(14)22(25)28/h4-11H,12-13H2,1-3H3,(H,23,27)(H,24,26)

InChI Key

HELDCWURHCKCES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.358

Distribution Coefficient, logD

1.357

Water Solubility, LogSw

-2.53

Polar Surface Area

86.280

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C168-0033 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

CNS Annotated Library (688 compounds)

Dark Chemical Matter Library (18430 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C168-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C168-0033?
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What is the minimum amount of C168-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C168-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C168-0033
  • 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 C168-0033 available by request