0141-0310 Screening compound: 2-benzoyl-1,2-dihydroisoquinoline-1-carbonitrile

0141-0310 Screening compound: 2-benzoyl-1,2-dihydroisoquinoline-1-carbonitrile
0141-0310 Screening compound: 2-benzoyl-1,2-dihydroisoquinoline-1-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0141-0310
2-benzoyl-1,2-dihydroisoquinoline-1-carbonitrile

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

0141-0310

Molecular Formula

C17H12N2O (C17 H12 N2 O)

Compound Name

2-benzoyl-1,2-dihydroisoquinoline-1-carbonitrile

IUPAC name

2-benzoyl-12-dihydroisoquinoline-1-carbonitrile

SMILES

N#CC(c(cccc1)c1C=C1)N1C(c1ccccc1)=O

InChI

InChI=1S/C17H12N2O/c18-12-16-15-9-5-4-6-13(15)10-11-19(16)17(20)14-7-2-1-3-8-14/h1-11,16H/t16-/m1/s1

InChI Key

HIRCCKPODGFADB-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD00024132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.551

Distribution Coefficient, logD

2.551

Water Solubility, LogSw

-2.60

Polar Surface Area

32.237

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-6.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.90

0141-0310 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Frequent Hitters Library (7624 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Fragments
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0141-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0141-0310?
Check Price and Availability of 0141-0310, 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 0141-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0141-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0141-0310
  • 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 0141-0310 available by request