C033-0240 Screening compound: N-(2-ethoxyphenyl)-3-{[2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]formamido}propanamide

C033-0240 Screening compound: N-(2-ethoxyphenyl)-3-{[2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]formamido}propanamide
C033-0240 Screening compound: N-(2-ethoxyphenyl)-3-{[2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]formamido}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C033-0240
N-(2-ethoxyphenyl)-3-{[2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]formamido}propanamide

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

C033-0240

Molecular Formula

C28H27N3O5 (C28 H27 N3 O5)

Compound Name

N-(2-ethoxyphenyl)-3-{[2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]formamido}propanamide

IUPAC name

N-(2-ethoxyphenyl)-3-{[2-(3-methoxyphenyl)-1-oxo-12-dihydroisoquinolin-4-yl]formamido}propanamide

SMILES

CCOc(cccc1)c1NC(CCNC(C(c1c2cccc1)=CN(c1cc(OC)ccc1)C2=O)=O)=O

InChI

InChI=1S/C28H27N3O5/c1-3-36-25-14-7-6-13-24(25)30-26(32)15-16-29-27(33)23-18-31(19-9-8-10-20(17-19)35-2)28(34)22-12-5-4-11-21(22)23/h4-14,17-18H,3,15-16H2,1-2H3,(H,29,33)(H,30,32)

InChI Key

RWRUDBMBRNUQKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.858

Distribution Coefficient, logD

2.857

Water Solubility, LogSw

-3.58

Polar Surface Area

77.215

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

C033-0240 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C033-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C033-0240?
Check Price and Availability of C033-0240, 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 C033-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C033-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C033-0240
  • 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 C033-0240 available by request