C115-0403 Screening compound: N-{2-[butyl(ethyl)amino]ethyl}-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C115-0403 Screening compound: N-{2-[butyl(ethyl)amino]ethyl}-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C115-0403 Screening compound: N-{2-[butyl(ethyl)amino]ethyl}-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C115-0403
N-{2-[butyl(ethyl)amino]ethyl}-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

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

C115-0403

Molecular Formula

C29H41N3O6 (C29 H41 N3 O6)

Compound Name

N-{2-[butyl(ethyl)amino]ethyl}-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

N-{2-[butyl(ethyl)amino]ethyl}-3-(34-dimethoxyphenyl)-67-dimethoxy-2-methyl-1-oxo-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CCCCN(CC)CCNC(C(C(c(cc1)cc(OC)c1OC)N1C)c(cc(c(OC)c2)OC)c2C1=O)=O

InChI

InChI=1S/C29H41N3O6/c1-8-10-14-32(9-2)15-13-30-28(33)26-20-17-24(37-6)25(38-7)18-21(20)29(34)31(3)27(26)19-11-12-22(35-4)23(16-19)36-5/h11-12,16-18,26-27H,8-10,13-15H2,1-7H3,(H,30,33)

InChI Key

NICBOWWTHZBNQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.742

Distribution Coefficient, logD

0.769

Water Solubility, LogSw

-3.20

Polar Surface Area

74.401

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

9.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

51.70

C115-0403 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C115-0403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C115-0403?
Check Price and Availability of C115-0403, 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 C115-0403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C115-0403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C115-0403
  • 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 C115-0403 available by request