G198-0010 Screening compound: methyl 4-[(2,5-dimethylphenyl)methoxy]-2-(methylsulfanyl)quinoline-3-carboxylate

G198-0010 Screening compound: methyl 4-[(2,5-dimethylphenyl)methoxy]-2-(methylsulfanyl)quinoline-3-carboxylate
G198-0010 Screening compound: methyl 4-[(2,5-dimethylphenyl)methoxy]-2-(methylsulfanyl)quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G198-0010
methyl 4-[(2,5-dimethylphenyl)methoxy]-2-(methylsulfanyl)quinoline-3-carboxylate

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

G198-0010

Molecular Formula

C21H21NO3S (C21 H21 NO3 S)

Compound Name

methyl 4-[(2,5-dimethylphenyl)methoxy]-2-(methylsulfanyl)quinoline-3-carboxylate

IUPAC name

methyl 4-[(25-dimethylphenyl)methoxy]-2-(methylsulfanyl)quinoline-3-carboxylate

SMILES

Cc1cc(COc2c(C(OC)=O)c(SC)nc3ccccc23)c(C)cc1

InChI

InChI=1S/C21H21NO3S/c1-13-9-10-14(2)15(11-13)12-25-19-16-7-5-6-8-17(16)22-20(26-4)18(19)21(23)24-3/h5-11H,12H2,1-4H3

InChI Key

HPMPYLHKZPKFIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.809

Distribution Coefficient, logD

5.809

Water Solubility, LogSw

-5.73

Polar Surface Area

37.275

Acid Dissociation Constant (pKa)

26.87

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G198-0010 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G198-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G198-0010?
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What is the minimum amount of G198-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G198-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G198-0010
  • 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 G198-0010 available by request