Y020-5226 Screening compound: 2-chloro-1-(2,2,4,6,7-pentamethyl-1,2-dihydroquinolin-1-yl)ethan-1-one

Y020-5226 Screening compound: 2-chloro-1-(2,2,4,6,7-pentamethyl-1,2-dihydroquinolin-1-yl)ethan-1-one
Y020-5226 Screening compound: 2-chloro-1-(2,2,4,6,7-pentamethyl-1,2-dihydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5226
2-chloro-1-(2,2,4,6,7-pentamethyl-1,2-dihydroquinolin-1-yl)ethan-1-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

Y020-5226

Molecular Formula

C16H20ClNO (C16 H20 ClNO)

Compound Name

2-chloro-1-(2,2,4,6,7-pentamethyl-1,2-dihydroquinolin-1-yl)ethan-1-one

IUPAC name

2-chloro-1-(22467-pentamethyl-12-dihydroquinolin-1-yl)ethan-1-one

SMILES

CC1(C)N(C(CCl)=O)c(cc(C)c(C)c2)c2C(C)=C1

InChI

InChI=1S/C16H20ClNO/c1-10-6-13-12(3)8-16(4,5)18(15(19)9-17)14(13)7-11(10)2/h6-8H,9H2,1-5H3

InChI Key

DEKDKTUQBQBEGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02242637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.79

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.115

Distribution Coefficient, logD

4.115

Water Solubility, LogSw

-4.21

Polar Surface Area

14.068

Acid Dissociation Constant (pKa)

20.97

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

Y020-5226 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with Y020-5226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5226?
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What is the minimum amount of Y020-5226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5226
  • 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 Y020-5226 available by request