Y020-0004 Screening compound: 2-(4-ethoxyphenyl)-7-methoxy-4,4-dimethyl-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinoline-1-thione

Y020-0004 Screening compound: 2-(4-ethoxyphenyl)-7-methoxy-4,4-dimethyl-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
Y020-0004 Screening compound: 2-(4-ethoxyphenyl)-7-methoxy-4,4-dimethyl-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinoline-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0004
2-(4-ethoxyphenyl)-7-methoxy-4,4-dimethyl-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinoline-1-thione

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

Y020-0004

Molecular Formula

C21H22N2O2S2 (C21 H22 N2 O2 S2)

Compound Name

2-(4-ethoxyphenyl)-7-methoxy-4,4-dimethyl-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinoline-1-thione

IUPAC name

2-(4-ethoxyphenyl)-7-methoxy-44-dimethyl-1H2H4H5H-[12]thiazolo[54-c]quinoline-1-thione

SMILES

CCOc(cc1)ccc1N(C1=S)SC2=C1c(ccc(OC)c1)c1NC2(C)C

InChI

InChI=1S/C21H22N2O2S2/c1-5-25-14-8-6-13(7-9-14)23-20(26)18-16-11-10-15(24-4)12-17(16)22-21(2,3)19(18)27-23/h6-12,22H,5H2,1-4H3

InChI Key

GHKXHNMOESPBHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01079461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.256

Distribution Coefficient, logD

3.580

Water Solubility, LogSw

-5.21

Polar Surface Area

29.373

Acid Dissociation Constant (pKa)

17.06

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

Y020-0004 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y020-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0004?
Check Price and Availability of Y020-0004, 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 Y020-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0004
  • 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 Y020-0004 available by request