Y050-1494 Screening compound: 2-[1-(4-ethoxybenzenesulfonyl)piperidine-4-carbonyl]-1,2,3,4-tetrahydroisoquinoline

Y050-1494 Screening compound: 2-[1-(4-ethoxybenzenesulfonyl)piperidine-4-carbonyl]-1,2,3,4-tetrahydroisoquinoline
Y050-1494 Screening compound: 2-[1-(4-ethoxybenzenesulfonyl)piperidine-4-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-1494
2-[1-(4-ethoxybenzenesulfonyl)piperidine-4-carbonyl]-1,2,3,4-tetrahydroisoquinoline

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

Y050-1494

Molecular Formula

C23H28N2O4S (C23 H28 N2 O4 S)

Compound Name

2-[1-(4-ethoxybenzenesulfonyl)piperidine-4-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[1-(4-ethoxybenzenesulfonyl)piperidine-4-carbonyl]-1234-tetrahydroisoquinoline

SMILES

CCOc(cc1)ccc1S(N(CC1)CCC1C(N(CC1)Cc2c1cccc2)=O)(=O)=O

InChI

InChI=1S/C23H28N2O4S/c1-2-29-21-7-9-22(10-8-21)30(27,28)25-15-12-19(13-16-25)23(26)24-14-11-18-5-3-4-6-20(18)17-24/h3-10,19H,2,11-17H2,1H3

InChI Key

LSPORSJYLUNKMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07359824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.599

Distribution Coefficient, logD

3.599

Water Solubility, LogSw

-3.36

Polar Surface Area

55.383

Acid Dissociation Constant (pKa)

22.79

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

Y050-1494 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with Y050-1494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-1494?
Check Price and Availability of Y050-1494, 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 Y050-1494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-1494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-1494
  • 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 Y050-1494 available by request