C168-0522 Screening compound: methyl 2-{[6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]formamido}acetate

C168-0522 Screening compound: methyl 2-{[6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]formamido}acetate
C168-0522 Screening compound: methyl 2-{[6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]formamido}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C168-0522
methyl 2-{[6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]formamido}acetate

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

C168-0522

Molecular Formula

C19H24N2O6 (C19 H24 N2 O6)

Compound Name

methyl 2-{[6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]formamido}acetate

IUPAC name

methyl 2-{[67-dimethoxy-2-(2-methylpropyl)-1-oxo-12-dihydroisoquinolin-4-yl]formamido}acetate

SMILES

CC(C)CN(C=C(C(NCC(OC)=O)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C19H24N2O6/c1-11(2)9-21-10-14(18(23)20-8-17(22)27-5)12-6-15(25-3)16(26-4)7-13(12)19(21)24/h6-7,10-11H,8-9H2,1-5H3,(H,20,23)

InChI Key

VZDNBDBBTPCKPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.581

Distribution Coefficient, logD

1.581

Water Solubility, LogSw

-2.21

Polar Surface Area

76.996

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C168-0522 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

BRD4 Targeted Library (4534 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • Epigenetic
Targets:
  • Others
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C168-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C168-0522?
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What is the minimum amount of C168-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C168-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C168-0522
  • 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 C168-0522 available by request