C138-0454 Screening compound: N~4~-cyclohexyl-6,7-dimethoxy-N~4~,2-dimethyl-1-oxo-3-(2-thienyl)-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide

C138-0454 Screening compound: N~4~-cyclohexyl-6,7-dimethoxy-N~4~,2-dimethyl-1-oxo-3-(2-thienyl)-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide
C138-0454 Screening compound: N~4~-cyclohexyl-6,7-dimethoxy-N~4~,2-dimethyl-1-oxo-3-(2-thienyl)-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C138-0454
N~4~-cyclohexyl-6,7-dimethoxy-N~4~,2-dimethyl-1-oxo-3-(2-thienyl)-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide

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

C138-0454

Molecular Formula

C24H30N2O4S (C24 H30 N2 O4 S)

Compound Name

N~4~-cyclohexyl-6,7-dimethoxy-N~4~,2-dimethyl-1-oxo-3-(2-thienyl)-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide

IUPAC name

N-cyclohexyl-67-dimethoxy-N2-dimethyl-1-oxo-3-(thiophen-2-yl)-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CN(C1CCCCC1)C(C(C(c1cccs1)N1C)c(cc(c(OC)c2)OC)c2C1=O)=O

InChI

InChI=1S/C24H30N2O4S/c1-25(15-9-6-5-7-10-15)24(28)21-16-13-18(29-3)19(30-4)14-17(16)23(27)26(2)22(21)20-11-8-12-31-20/h8,11-15,21-22H,5-7,9-10H2,1-4H3

InChI Key

GFEALESELGGHFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.029

Distribution Coefficient, logD

3.029

Water Solubility, LogSw

-3.20

Polar Surface Area

47.170

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

C138-0454 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 C138-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-0454?
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What is the minimum amount of C138-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-0454
  • 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 C138-0454 available by request