5750-1995 Screening compound: 6-chloro-4-phenyl-2-(prop-2-en-1-ylsulfanyl)quinazoline

5750-1995 Screening compound: 6-chloro-4-phenyl-2-(prop-2-en-1-ylsulfanyl)quinazoline
5750-1995 Screening compound: 6-chloro-4-phenyl-2-(prop-2-en-1-ylsulfanyl)quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5750-1995
6-chloro-4-phenyl-2-(prop-2-en-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

5750-1995

Molecular Formula

C17H13ClN2S (C17 H13 ClN2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H13ClN2S/c1-2-10-21-17-19-15-9-8-13(18)11-14(15)16(20-17)12-6-4-3-5-7-12/h2-9,11H,1,10H2

InChI Key

KEIAOISRJDRXMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02816995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.82

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

5.630

Distribution Coefficient, logD

5.630

Water Solubility, LogSw

-6.20

Polar Surface Area

17.745

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

5750-1995 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 5750-1995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-1995?
Check Price and Availability of 5750-1995, 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 5750-1995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-1995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-1995
  • 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 5750-1995 available by request