P773-1238 Screening compound: 2-[(2-fluorophenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid

P773-1238 Screening compound: 2-[(2-fluorophenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
P773-1238 Screening compound: 2-[(2-fluorophenyl)methyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound P773-1238
2-[(2-fluorophenyl)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

P773-1238

Molecular Formula

C17H12FNO3 (C17 H12 FNO3)

Compound Name

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

IUPAC name

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

SMILES

OC(C(c1c2cccc1)=CN(Cc(cccc1)c1F)C2=O)=O

InChI

InChI=1S/C17H12FNO3/c18-15-8-4-1-5-11(15)9-19-10-14(17(21)22)12-6-2-3-7-13(12)16(19)20/h1-8,10H,9H2,(H,21,22)

InChI Key

YSLBDKRVDBBHKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27614805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.29

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

1.904

Distribution Coefficient, logD

-2.401

Water Solubility, LogSw

-2.56

Polar Surface Area

44.608

Acid Dissociation Constant (pKa)

3.10

Base Dissociation Constant (pKb)

-6.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

P773-1238 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Cardiovascular Library (22201 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with P773-1238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P773-1238?
Check Price and Availability of P773-1238, 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 P773-1238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P773-1238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P773-1238
  • 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 P773-1238 available by request