3010-0235 Screening compound: 2-(2-NITROPHENYL)-1-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)ETHAN-1-ONE

3010-0235 Screening compound: 2-(2-NITROPHENYL)-1-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)ETHAN-1-ONE
3010-0235 Screening compound: 2-(2-NITROPHENYL)-1-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)ETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3010-0235
2-(2-NITROPHENYL)-1-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)ETHAN-1-ONE

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

3010-0235

Molecular Formula

C17H16N2O3 (C17 H16 N2 O3)

Compound Name

2-(2-NITROPHENYL)-1-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)ETHAN-1-ONE

IUPAC name

n/a

SMILES

[O-][N+](c1c(CC(N(CC2)Cc3c2cccc3)=O)cccc1)=O

InChI

InChI=1S/C17H16N2O3/c20-17(11-14-6-3-4-8-16(14)19(21)22)18-10-9-13-5-1-2-7-15(13)12-18/h1-8H,9-12H2

InChI Key

NLMHRWJONQQQPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02859304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.384

Distribution Coefficient, logD

3.384

Water Solubility, LogSw

-3.59

Polar Surface Area

49.102

Acid Dissociation Constant (pKa)

16.63

Base Dissociation Constant (pKb)

-3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

3010-0235 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3010-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3010-0235?
Check Price and Availability of 3010-0235, 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 3010-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3010-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3010-0235
  • 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 3010-0235 available by request