C115-0086 Screening compound: N~1~-[2-(4-ethoxyanilino)-2-oxoethyl]-2-[3-methyl-1-oxo-2(1H)-isoquinolinyl]acetamide

C115-0086 Screening compound: N~1~-[2-(4-ethoxyanilino)-2-oxoethyl]-2-[3-methyl-1-oxo-2(1H)-isoquinolinyl]acetamide
C115-0086 Screening compound: N~1~-[2-(4-ethoxyanilino)-2-oxoethyl]-2-[3-methyl-1-oxo-2(1H)-isoquinolinyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C115-0086
N~1~-[2-(4-ethoxyanilino)-2-oxoethyl]-2-[3-methyl-1-oxo-2(1H)-isoquinolinyl]acetamide

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

C115-0086

Molecular Formula

C22H23N3O4 (C22 H23 N3 O4)

Compound Name

N~1~-[2-(4-ethoxyanilino)-2-oxoethyl]-2-[3-methyl-1-oxo-2(1H)-isoquinolinyl]acetamide

IUPAC name

n/a

SMILES

CCOc(cc1)ccc1NC(CNC(CN(C(C)=Cc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C22H23N3O4/c1-3-29-18-10-8-17(9-11-18)24-20(26)13-23-21(27)14-25-15(2)12-16-6-4-5-7-19(16)22(25)28/h4-12H,3,13-14H2,1-2H3,(H,23,27)(H,24,26)

InChI Key

LDYRMIZPXPQANG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.005

Distribution Coefficient, logD

3.005

Water Solubility, LogSw

-3.55

Polar Surface Area

69.900

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with C115-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C115-0086?
Check Price and Availability of C115-0086, 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 C115-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C115-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C115-0086
  • 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 C115-0086 available by request