Y020-5239 Screening compound: 2-chloro-1-(2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

Y020-5239 Screening compound: 2-chloro-1-(2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
Y020-5239 Screening compound: 2-chloro-1-(2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5239
2-chloro-1-(2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-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

Y020-5239

Molecular Formula

C14H18ClNO (C14 H18 ClNO)

Compound Name

2-chloro-1-(2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

IUPAC name

2-chloro-1-(224-trimethyl-1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

CC(CC1(C)C)c(cccc2)c2N1C(CCl)=O

InChI

InChI=1S/C14H18ClNO/c1-10-8-14(2,3)16(13(17)9-15)12-7-5-4-6-11(10)12/h4-7,10H,8-9H2,1-3H3/t10-/m1/s1

InChI Key

YPFUVGDVQKAHTE-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD02235672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.76

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

2.683

Distribution Coefficient, logD

2.683

Water Solubility, LogSw

-2.98

Polar Surface Area

14.068

Acid Dissociation Constant (pKa)

21.55

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

Y020-5239 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y020-5239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5239?
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What is the minimum amount of Y020-5239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5239
  • 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 Y020-5239 available by request