C154-0046 Screening compound: 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinolin-1-one

C154-0046 Screening compound: 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinolin-1-one
C154-0046 Screening compound: 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C154-0046
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(thiophen-2-yl)-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

C154-0046

Molecular Formula

C26H27N3O3S (C26 H27 N3 O3 S)

Compound Name

4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinolin-1-one

IUPAC name

4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(thiophen-2-yl)-1234-tetrahydroisoquinolin-1-one

SMILES

CN(C(C(C(N(CC1)CCN1c(cccc1)c1OC)=O)c1c2cccc1)c1cccs1)C2=O

InChI

InChI=1S/C26H27N3O3S/c1-27-24(22-12-7-17-33-22)23(18-8-3-4-9-19(18)25(27)30)26(31)29-15-13-28(14-16-29)20-10-5-6-11-21(20)32-2/h3-12,17,23-24H,13-16H2,1-2H3

InChI Key

OKMDCZNNAUPLQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.210

Distribution Coefficient, logD

3.210

Water Solubility, LogSw

-3.65

Polar Surface Area

43.945

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.80

C154-0046 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 C154-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C154-0046?
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What is the minimum amount of C154-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C154-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C154-0046
  • 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 C154-0046 available by request