C138-0440 Screening compound: N-(5-chloro-2-methoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C138-0440 Screening compound: N-(5-chloro-2-methoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C138-0440 Screening compound: N-(5-chloro-2-methoxyphenyl)-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 C138-0440
N-(5-chloro-2-methoxyphenyl)-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

C138-0440

Molecular Formula

C24H23ClN2O5S (C24 H23 ClN2 O5 S)

Compound Name

N-(5-chloro-2-methoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-67-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CN(C(C(C(Nc(cc(cc1)Cl)c1OC)=O)c(cc1OC)c2cc1OC)c1cccs1)C2=O

InChI

InChI=1S/C24H23ClN2O5S/c1-27-22(20-6-5-9-33-20)21(23(28)26-16-10-13(25)7-8-17(16)30-2)14-11-18(31-3)19(32-4)12-15(14)24(27)29/h5-12,21-22H,1-4H3,(H,26,28)

InChI Key

YPDUNWCKKCOTOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.98

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

3.551

Distribution Coefficient, logD

3.425

Water Solubility, LogSw

-3.96

Polar Surface Area

61.991

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

C138-0440 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 C138-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-0440?
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What is the minimum amount of C138-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-0440
  • 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 C138-0440 available by request