Y204-5021 Screening compound: 1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-ethyl-1-butanone

Y204-5021 Screening compound: 1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-ethyl-1-butanone
Y204-5021 Screening compound: 1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-ethyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y204-5021
1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-ethyl-1-butanone

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

Y204-5021

Molecular Formula

C15H21NO (C15 H21 NO)

Compound Name

1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-ethyl-1-butanone

IUPAC name

2-ethyl-1-(1234-tetrahydroisoquinolin-2-yl)butan-1-one

SMILES

CCC(CC)C(N(CC1)Cc2c1cccc2)=O

InChI

InChI=1S/C15H21NO/c1-3-12(4-2)15(17)16-10-9-13-7-5-6-8-14(13)11-16/h5-8,12H,3-4,9-11H2,1-2H3

InChI Key

SUNNOBQBONXHNN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.536

Distribution Coefficient, logD

3.536

Water Solubility, LogSw

-3.24

Polar Surface Area

16.820

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.33

References: we are preparing a list of scientific research reports with Y204-5021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y204-5021?
Check Price and Availability of Y204-5021, 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 Y204-5021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y204-5021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y204-5021
  • 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 Y204-5021 available by request