Y020-8639 Screening compound: 2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)ethan-1-one

Y020-8639 Screening compound: 2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)ethan-1-one
Y020-8639 Screening compound: 2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-8639
2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-(2,2,4-trimethyl-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

Y020-8639

Molecular Formula

C18H21N3OS (C18 H21 N3 OS)

Compound Name

2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-(2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)ethan-1-one

IUPAC name

2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-(224-trimethyl-12-dihydroquinolin-1-yl)ethan-1-one

SMILES

CC1(C)N(C(CSc2nccn2C)=O)c(cccc2)c2C(C)=C1

InChI

InChI=1S/C18H21N3OS/c1-13-11-18(2,3)21(15-8-6-5-7-14(13)15)16(22)12-23-17-19-9-10-20(17)4/h5-11H,12H2,1-4H3

InChI Key

IOQDSPMWZJHBCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08710495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.173

Distribution Coefficient, logD

3.145

Water Solubility, LogSw

-3.67

Polar Surface Area

26.716

Acid Dissociation Constant (pKa)

19.34

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y020-8639 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y020-8639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-8639?
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What is the minimum amount of Y020-8639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-8639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-8639
  • 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 Y020-8639 available by request