Y021-2810 Screening compound: N~1~-(3-chloro-2-methylphenyl)-2-[7-(2-methylphenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydro-3-quinolinyl]acetamide

Y021-2810 Screening compound: N~1~-(3-chloro-2-methylphenyl)-2-[7-(2-methylphenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydro-3-quinolinyl]acetamide
Y021-2810 Screening compound: N~1~-(3-chloro-2-methylphenyl)-2-[7-(2-methylphenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydro-3-quinolinyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2810
N~1~-(3-chloro-2-methylphenyl)-2-[7-(2-methylphenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydro-3-quinolinyl]acetamide

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

Y021-2810

Molecular Formula

C25H25ClN2O3 (C25 H25 ClN2 O3)

Compound Name

N~1~-(3-chloro-2-methylphenyl)-2-[7-(2-methylphenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydro-3-quinolinyl]acetamide

IUPAC name

N-(3-chloro-2-methylphenyl)-2-[7-(2-methylphenyl)-25-dioxo-12345678-octahydroquinolin-3-yl]acetamide

SMILES

Cc1c(C(C2)CC(NC(C(CC(Nc3cccc(Cl)c3C)=O)C3)=O)=C3C2=O)cccc1

InChI

InChI=1S/C25H25ClN2O3/c1-14-6-3-4-7-18(14)16-11-22-19(23(29)12-16)10-17(25(31)28-22)13-24(30)27-21-9-5-8-20(26)15(21)2/h3-9,16-17H,10-13H2,1-2H3,(H,27,30)(H,28,31)

InChI Key

RNHRJZQSAOXIPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32220934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.518

Distribution Coefficient, logD

2.671

Water Solubility, LogSw

-4.32

Polar Surface Area

60.243

Acid Dissociation Constant (pKa)

5.56

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.00

Y021-2810 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y021-2810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-2810?
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What is the minimum amount of Y021-2810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2810
  • 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 Y021-2810 available by request