C115-0324 Screening compound: 3-(3,4-dimethoxyphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one

C115-0324 Screening compound: 3-(3,4-dimethoxyphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one
C115-0324 Screening compound: 3-(3,4-dimethoxyphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C115-0324
3-(3,4-dimethoxyphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-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

C115-0324

Molecular Formula

C31H34FN3O6 (C31 H34 FN3 O6)

Compound Name

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

IUPAC name

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

SMILES

CN(C(C(C(N(CC1)CCN1c(cccc1)c1F)=O)c(cc1OC)c2cc1OC)c(cc1)cc(OC)c1OC)C2=O

InChI

InChI=1S/C31H34FN3O6/c1-33-29(19-10-11-24(38-2)25(16-19)39-3)28(20-17-26(40-4)27(41-5)18-21(20)30(33)36)31(37)35-14-12-34(13-15-35)23-9-7-6-8-22(23)32/h6-11,16-18,28-29H,12-15H2,1-5H3

InChI Key

MKWYROHQZOVRAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.166

Distribution Coefficient, logD

3.166

Water Solubility, LogSw

-3.53

Polar Surface Area

65.818

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.50

C115-0324 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 C115-0324 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C115-0324?
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What is the minimum amount of C115-0324 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C115-0324
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C115-0324
  • 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 C115-0324 available by request