C115-0322 Screening compound: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one

C115-0322 Screening compound: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one
C115-0322 Screening compound: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C115-0322
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one

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

C115-0322

Molecular Formula

C32H37N3O7 (C32 H37 N3 O7)

Compound Name

3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one

IUPAC name

3-(34-dimethoxyphenyl)-67-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-1234-tetrahydroisoquinolin-1-one

SMILES

CN(C(C(C(N(CC1)CCN1c(cccc1)c1OC)=O)c(cc1OC)c2cc1OC)c(cc1)cc(OC)c1OC)C2=O

InChI

InChI=1S/C32H37N3O7/c1-33-30(20-11-12-25(39-3)26(17-20)40-4)29(21-18-27(41-5)28(42-6)19-22(21)31(33)36)32(37)35-15-13-34(14-16-35)23-9-7-8-10-24(23)38-2/h7-12,17-19,29-30H,13-16H2,1-6H3

InChI Key

FKUOXVNBFLBTOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

575.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.988

Distribution Coefficient, logD

2.988

Water Solubility, LogSw

-3.41

Polar Surface Area

73.448

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

C115-0322 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C115-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C115-0322?
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What is the minimum amount of C115-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C115-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C115-0322
  • 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 C115-0322 available by request