Y204-5111 Screening compound: 2-(3-chlorophenyl)-N~4~-(4-methoxybenzyl)-3-methyl-4-quinolinecarboxamide

Y204-5111 Screening compound: 2-(3-chlorophenyl)-N~4~-(4-methoxybenzyl)-3-methyl-4-quinolinecarboxamide
Y204-5111 Screening compound: 2-(3-chlorophenyl)-N~4~-(4-methoxybenzyl)-3-methyl-4-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y204-5111
2-(3-chlorophenyl)-N~4~-(4-methoxybenzyl)-3-methyl-4-quinolinecarboxamide

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

Y204-5111

Molecular Formula

C25H21ClN2O2 (C25 H21 ClN2 O2)

Compound Name

2-(3-chlorophenyl)-N~4~-(4-methoxybenzyl)-3-methyl-4-quinolinecarboxamide

IUPAC name

2-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methylquinoline-4-carboxamide

SMILES

Cc1c(C(NCc(cc2)ccc2OC)=O)c2ccccc2nc1-c1cccc(Cl)c1

InChI

InChI=1S/C25H21ClN2O2/c1-16-23(25(29)27-15-17-10-12-20(30-2)13-11-17)21-8-3-4-9-22(21)28-24(16)18-6-5-7-19(26)14-18/h3-14H,15H2,1-2H3,(H,27,29)

InChI Key

OJSYJXTXTWPGCF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.755

Distribution Coefficient, logD

5.755

Water Solubility, LogSw

-6.09

Polar Surface Area

41.025

Acid Dissociation Constant (pKa)

14.36

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

Y204-5111 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y204-5111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y204-5111?
Check Price and Availability of Y204-5111, 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 Y204-5111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y204-5111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y204-5111
  • 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 Y204-5111 available by request