P773-1250 Screening compound: 2-[(3-methylphenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid

P773-1250 Screening compound: 2-[(3-methylphenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
P773-1250 Screening compound: 2-[(3-methylphenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound P773-1250
2-[(3-methylphenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid

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

P773-1250

Molecular Formula

C18H15NO3 (C18 H15 NO3)

Compound Name

2-[(3-methylphenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid

IUPAC name

2-[(3-methylphenyl)methyl]-1-oxo-12-dihydroisoquinoline-4-carboxylic acid

SMILES

Cc1cccc(CN(C=C(C(O)=O)c2c3cccc2)C3=O)c1

InChI

InChI=1S/C18H15NO3/c1-12-5-4-6-13(9-12)10-19-11-16(18(21)22)14-7-2-3-8-15(14)17(19)20/h2-9,11H,10H2,1H3,(H,21,22)

InChI Key

UGYUWXXMGLCGLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.076

Distribution Coefficient, logD

-2.229

Water Solubility, LogSw

-2.75

Polar Surface Area

44.608

Acid Dissociation Constant (pKa)

3.10

Base Dissociation Constant (pKb)

-5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

P773-1250 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

ACE2 Library (3043 compounds)

Anti-Aging Library (44940 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with P773-1250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P773-1250?
Check Price and Availability of P773-1250, 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 P773-1250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P773-1250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P773-1250
  • 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 P773-1250 available by request