C138-0492 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C138-0492 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C138-0492 Screening compound: N-[2-(3,4-dimethoxyphenyl)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 C138-0492
N-[2-(3,4-dimethoxyphenyl)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

C138-0492

Molecular Formula

C27H30N2O6S (C27 H30 N2 O6 S)

Compound Name

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

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-67-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CN(C(C(C(NCCc(cc1)cc(OC)c1OC)=O)c(cc1OC)c2cc1OC)c1cccs1)C2=O

InChI

InChI=1S/C27H30N2O6S/c1-29-25(23-7-6-12-36-23)24(17-14-21(34-4)22(35-5)15-18(17)27(29)31)26(30)28-11-10-16-8-9-19(32-2)20(13-16)33-3/h6-9,12-15,24-25H,10-11H2,1-5H3,(H,28,30)

InChI Key

YKQWQAYEVQZFPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.118

Distribution Coefficient, logD

2.118

Water Solubility, LogSw

-3.11

Polar Surface Area

71.483

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

C138-0492 in Drug Discovery

Included in Screening Libraries

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 C138-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-0492?
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What is the minimum amount of C138-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-0492
  • 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 C138-0492 available by request