C154-0076 Screening compound: N-[2-(diethylamino)ethyl]-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C154-0076 Screening compound: N-[2-(diethylamino)ethyl]-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C154-0076 Screening compound: N-[2-(diethylamino)ethyl]-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C154-0076
N-[2-(diethylamino)ethyl]-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

C154-0076

Molecular Formula

C21H27N3O2S (C21 H27 N3 O2 S)

Compound Name

N-[2-(diethylamino)ethyl]-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

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

SMILES

CCN(CC)CCNC(C(C(c1cccs1)N1C)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C21H27N3O2S/c1-4-24(5-2)13-12-22-20(25)18-15-9-6-7-10-16(15)21(26)23(3)19(18)17-11-8-14-27-17/h6-11,14,18-19H,4-5,12-13H2,1-3H3,(H,22,25)

InChI Key

WNUMOKPZIVNWAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.143

Distribution Coefficient, logD

0.142

Water Solubility, LogSw

-2.84

Polar Surface Area

44.644

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

C154-0076 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C154-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C154-0076?
Check Price and Availability of C154-0076, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C154-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C154-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C154-0076
  • 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 C154-0076 available by request