C033-0488 Screening compound: N-cycloheptyl-2-{[2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]formamido}acetamide

C033-0488 Screening compound: N-cycloheptyl-2-{[2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]formamido}acetamide
C033-0488 Screening compound: N-cycloheptyl-2-{[2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]formamido}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C033-0488
N-cycloheptyl-2-{[2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]formamido}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

C033-0488

Molecular Formula

C26H29N3O4 (C26 H29 N3 O4)

Compound Name

N-cycloheptyl-2-{[2-(2-methoxyphenyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]formamido}acetamide

IUPAC name

N-cycloheptyl-2-{[2-(2-methoxyphenyl)-1-oxo-12-dihydroisoquinolin-4-yl]formamido}acetamide

SMILES

COc(cccc1)c1N(C=C(C(NCC(NC1CCCCCC1)=O)=O)c1c2cccc1)C2=O

InChI

InChI=1S/C26H29N3O4/c1-33-23-15-9-8-14-22(23)29-17-21(19-12-6-7-13-20(19)26(29)32)25(31)27-16-24(30)28-18-10-4-2-3-5-11-18/h6-9,12-15,17-18H,2-5,10-11,16H2,1H3,(H,27,31)(H,28,30)

InChI Key

IFWSOVRUUBZCDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.528

Distribution Coefficient, logD

3.528

Water Solubility, LogSw

-3.85

Polar Surface Area

72.025

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with C033-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C033-0488?
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What is the minimum amount of C033-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C033-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C033-0488
  • 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 C033-0488 available by request