G586-0681 Screening compound: 8-chloro-7-methoxy-N-(2-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide

G586-0681 Screening compound: 8-chloro-7-methoxy-N-(2-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide
G586-0681 Screening compound: 8-chloro-7-methoxy-N-(2-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G586-0681
8-chloro-7-methoxy-N-(2-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide

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

G586-0681

Molecular Formula

C21H17ClN2O2S (C21 H17 ClN2 O2 S)

Compound Name

8-chloro-7-methoxy-N-(2-phenylethyl)thieno[2,3-b]quinoline-2-carboxamide

IUPAC name

8-chloro-7-methoxy-N-(2-phenylethyl)thieno[23-b]quinoline-2-carboxamide

SMILES

COc(ccc(c1n2)cc3c2sc(C(NCCc2ccccc2)=O)c3)c1Cl

InChI

InChI=1S/C21H17ClN2O2S/c1-26-16-8-7-14-11-15-12-17(27-21(15)24-19(14)18(16)22)20(25)23-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,23,25)

InChI Key

ZQHJAODFGUJJGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15021267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.125

Distribution Coefficient, logD

5.125

Water Solubility, LogSw

-5.64

Polar Surface Area

42.330

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G586-0681 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 G586-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G586-0681?
Check Price and Availability of G586-0681, 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 G586-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G586-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G586-0681
  • 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 G586-0681 available by request