6186-3500 Screening compound: 6-chloro-4-phenyl-2-(prop-2-yn-1-ylsulfanyl)quinazoline

6186-3500 Screening compound: 6-chloro-4-phenyl-2-(prop-2-yn-1-ylsulfanyl)quinazoline
6186-3500 Screening compound: 6-chloro-4-phenyl-2-(prop-2-yn-1-ylsulfanyl)quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6186-3500
6-chloro-4-phenyl-2-(prop-2-yn-1-ylsulfanyl)quinazoline

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

6186-3500

Molecular Formula

C17H11ClN2S (C17 H11 ClN2 S)

Compound Name

6-chloro-4-phenyl-2-(prop-2-yn-1-ylsulfanyl)quinazoline

IUPAC name

6-chloro-4-phenyl-2-(prop-2-yn-1-ylsulfanyl)quinazoline

SMILES

C#CCSc1nc(-c2ccccc2)c(cc(cc2)Cl)c2n1

InChI

InChI=1S/C17H11ClN2S/c1-2-10-21-17-19-15-9-8-13(18)11-14(15)16(20-17)12-6-4-3-5-7-12/h1,3-9,11H,10H2

InChI Key

GZIPPFXDNFIFOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03321700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.81

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.207

Distribution Coefficient, logD

5.207

Water Solubility, LogSw

-5.85

Polar Surface Area

17.745

Acid Dissociation Constant (pKa)

21.36

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

6186-3500 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Cardiovascular Library (22201 compounds)

Human Proteases Annotated Library (2868 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6186-3500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6186-3500?
Check Price and Availability of 6186-3500, 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 6186-3500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6186-3500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6186-3500
  • 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 6186-3500 available by request