3535-0180 Screening compound: 2-(2-hydroxy-5-methylphenyl)-8-methoxy-4,4-dimethyl-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinoline-1-thione

3535-0180 Screening compound: 2-(2-hydroxy-5-methylphenyl)-8-methoxy-4,4-dimethyl-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinoline-1-thione
3535-0180 Screening compound: 2-(2-hydroxy-5-methylphenyl)-8-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 3535-0180
2-(2-hydroxy-5-methylphenyl)-8-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

3535-0180

Molecular Formula

C20H20N2O2S2 (C20 H20 N2 O2 S2)

Compound Name

2-(2-hydroxy-5-methylphenyl)-8-methoxy-4,4-dimethyl-1H,2H,4H,5H-[1,2]thiazolo[5,4-c]quinoline-1-thione

IUPAC name

2-(2-hydroxy-5-methylphenyl)-8-methoxy-44-dimethyl-1H2H4H5H-[12]thiazolo[54-c]quinoline-1-thione

SMILES

CC1(C)Nc(ccc(OC)c2)c2C(C2=S)=C1SN2c(cc(C)cc1)c1O

InChI

InChI=1S/C20H20N2O2S2/c1-11-5-8-16(23)15(9-11)22-19(25)17-13-10-12(24-4)6-7-14(13)21-20(2,3)18(17)26-22/h5-10,21,23H,1-4H3

InChI Key

WQXFNJRHZCEJAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01949736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.414

Distribution Coefficient, logD

4.675

Water Solubility, LogSw

-5.32

Polar Surface Area

38.497

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3535-0180 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3535-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3535-0180?
Check Price and Availability of 3535-0180, 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 3535-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3535-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3535-0180
  • 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 3535-0180 available by request