C301-5330 Screening compound: 3-ethyl-N-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

C301-5330 Screening compound: 3-ethyl-N-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
C301-5330 Screening compound: 3-ethyl-N-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5330
3-ethyl-N-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

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

C301-5330

Molecular Formula

C18H16FN5 (C18 H16 FN5)

Compound Name

3-ethyl-N-(4-fluoro-2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

IUPAC name

3-ethyl-N-(4-fluoro-2-methylphenyl)-[124]triazolo[43-c]quinazolin-5-amine

SMILES

CCc1nnc2n1c(Nc(cc1)c(C)cc1F)nc1c2cccc1

InChI

InChI=1S/C18H16FN5/c1-3-16-22-23-17-13-6-4-5-7-15(13)21-18(24(16)17)20-14-9-8-12(19)10-11(14)2/h4-10H,3H2,1-2H3,(H,20,21)

InChI Key

ZZNJSZJUFXQOME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.902

Distribution Coefficient, logD

3.881

Water Solubility, LogSw

-4.02

Polar Surface Area

41.370

Acid Dissociation Constant (pKa)

16.07

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C301-5330 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Antiviral Annotated Library (21441 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Selective Target Activity Profiling Library (14702 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-5330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5330?
Check Price and Availability of C301-5330, 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 C301-5330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5330
  • 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 C301-5330 available by request