C154-0033 Screening compound: 2-methyl-1-oxo-3-(thiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C154-0033 Screening compound: 2-methyl-1-oxo-3-(thiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C154-0033 Screening compound: 2-methyl-1-oxo-3-(thiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C154-0033
2-methyl-1-oxo-3-(thiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)-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

C154-0033

Molecular Formula

C24H24N2O5S (C24 H24 N2 O5 S)

Compound Name

2-methyl-1-oxo-3-(thiophen-2-yl)-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

2-methyl-1-oxo-3-(thiophen-2-yl)-N-(345-trimethoxyphenyl)-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CN(C(C(C(Nc(cc1OC)cc(OC)c1OC)=O)c1c2cccc1)c1cccs1)C2=O

InChI

InChI=1S/C24H24N2O5S/c1-26-21(19-10-7-11-32-19)20(15-8-5-6-9-16(15)24(26)28)23(27)25-14-12-17(29-2)22(31-4)18(13-14)30-3/h5-13,20-21H,1-4H3,(H,25,27)

InChI Key

LOIQPJYSRKKFSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.640

Distribution Coefficient, logD

2.627

Water Solubility, LogSw

-3.49

Polar Surface Area

62.776

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

C154-0033 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C154-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C154-0033?
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What is the minimum amount of C154-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C154-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C154-0033
  • 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 C154-0033 available by request