C660-0443 Screening compound: 2-cyclopentyl-N-(4-methylphenyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C660-0443 Screening compound: 2-cyclopentyl-N-(4-methylphenyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C660-0443 Screening compound: 2-cyclopentyl-N-(4-methylphenyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C660-0443
2-cyclopentyl-N-(4-methylphenyl)-1-oxo-3-(thiophen-2-yl)-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

C660-0443

Molecular Formula

C26H26N2O2S (C26 H26 N2 O2 S)

Compound Name

2-cyclopentyl-N-(4-methylphenyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

2-cyclopentyl-N-(4-methylphenyl)-1-oxo-3-(thiophen-2-yl)-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

Cc(cc1)ccc1NC(C(C(c1cccs1)N1C2CCCC2)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C26H26N2O2S/c1-17-12-14-18(15-13-17)27-25(29)23-20-9-4-5-10-21(20)26(30)28(19-7-2-3-8-19)24(23)22-11-6-16-31-22/h4-6,9-16,19,23-24H,2-3,7-8H2,1H3,(H,27,29)

InChI Key

JZSOQKFLFLVEQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.130

Distribution Coefficient, logD

5.130

Water Solubility, LogSw

-4.89

Polar Surface Area

39.348

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.80

C660-0443 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C660-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C660-0443?
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What is the minimum amount of C660-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C660-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C660-0443
  • 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 C660-0443 available by request