C115-0396 Screening compound: 3-(3,4-dimethoxyphenyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C115-0396 Screening compound: 3-(3,4-dimethoxyphenyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C115-0396 Screening compound: 3-(3,4-dimethoxyphenyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}-6,7-dimethoxy-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C115-0396
3-(3,4-dimethoxyphenyl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}-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

C115-0396

Molecular Formula

C33H41N3O6 (C33 H41 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

CCN(CCCNC(C(C(c(cc1)cc(OC)c1OC)N1C)c(cc(c(OC)c2)OC)c2C1=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C33H41N3O6/c1-8-36(23-12-9-11-21(2)17-23)16-10-15-34-32(37)30-24-19-28(41-6)29(42-7)20-25(24)33(38)35(3)31(30)22-13-14-26(39-4)27(18-22)40-5/h9,11-14,17-20,30-31H,8,10,15-16H2,1-7H3,(H,34,37)

InChI Key

YLWVDSAFYFTOFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

575.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.854

Distribution Coefficient, logD

3.822

Water Solubility, LogSw

-3.83

Polar Surface Area

73.455

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.40

C115-0396 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C115-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C115-0396?
Check Price and Availability of C115-0396, 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 C115-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C115-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C115-0396
  • 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 C115-0396 available by request