Y050-3411 Screening compound: 1-ethyl-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,4-dihydroquinolin-4-one

Y050-3411 Screening compound: 1-ethyl-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,4-dihydroquinolin-4-one
Y050-3411 Screening compound: 1-ethyl-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-3411
1-ethyl-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,4-dihydroquinolin-4-one

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

Y050-3411

Molecular Formula

C21H20N2O2 (C21 H20 N2 O2)

Compound Name

1-ethyl-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1,4-dihydroquinolin-4-one

IUPAC name

1-ethyl-3-(1234-tetrahydroisoquinoline-2-carbonyl)-14-dihydroquinolin-4-one

SMILES

CCN(C=C1C(N(CC2)Cc3c2cccc3)=O)c(cccc2)c2C1=O

InChI

InChI=1S/C21H20N2O2/c1-2-22-14-18(20(24)17-9-5-6-10-19(17)22)21(25)23-12-11-15-7-3-4-8-16(15)13-23/h3-10,14H,2,11-13H2,1H3

InChI Key

SHKMAVFOTZOYSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11844032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.888

Distribution Coefficient, logD

2.888

Water Solubility, LogSw

-3.54

Polar Surface Area

31.869

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

Y050-3411 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y050-3411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-3411?
Check Price and Availability of Y050-3411, 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 Y050-3411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-3411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-3411
  • 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 Y050-3411 available by request