C066-1212 Screening compound: N-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C066-1212 Screening compound: N-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C066-1212 Screening compound: N-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1212
N-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-methyl-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

C066-1212

Molecular Formula

C25H25ClN2O4S (C25 H25 ClN2 O4 S)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-67-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CN(C(C(C(NCCc(cc1)ccc1Cl)=O)c(cc1OC)c2cc1OC)c1cccs1)C2=O

InChI

InChI=1S/C25H25ClN2O4S/c1-28-23(21-5-4-12-33-21)22(24(29)27-11-10-15-6-8-16(26)9-7-15)17-13-19(31-2)20(32-3)14-18(17)25(28)30/h4-9,12-14,22-23H,10-11H2,1-3H3,(H,27,29)

InChI Key

SUTKIERWSCDION-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.195

Distribution Coefficient, logD

3.195

Water Solubility, LogSw

-3.69

Polar Surface Area

56.222

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.00

C066-1212 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C066-1212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1212?
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What is the minimum amount of C066-1212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1212
  • 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 C066-1212 available by request