0555-0013 Screening compound: methyl 1,4-dihydroxyisoquinoline-3-carboxylate

0555-0013 Screening compound: methyl 1,4-dihydroxyisoquinoline-3-carboxylate
0555-0013 Screening compound: methyl 1,4-dihydroxyisoquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0555-0013
methyl 1,4-dihydroxyisoquinoline-3-carboxylate

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

0555-0013

Molecular Formula

C11H9NO4 (C11 H9 NO4)

Compound Name

methyl 1,4-dihydroxyisoquinoline-3-carboxylate

IUPAC name

methyl 14-dihydroxyisoquinoline-3-carboxylate

SMILES

COC(c(nc(c1ccccc11)O)c1O)=O

InChI

InChI=1S/C11H9NO4/c1-16-11(15)8-9(13)6-4-2-3-5-7(6)10(14)12-8/h2-5,13H,1H3,(H,12,14)

InChI Key

JOURGLFWVLLAPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00230514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

219.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.652

Distribution Coefficient, logD

1.229

Water Solubility, LogSw

-1.98

Polar Surface Area

62.966

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

0555-0013 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Fragments Library (11262 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 0555-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0555-0013?
Check Price and Availability of 0555-0013, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0555-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0555-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0555-0013
  • 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 0555-0013 available by request