E881-0113 Screening compound: N-(4-fluoro-2-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

E881-0113 Screening compound: N-(4-fluoro-2-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
E881-0113 Screening compound: N-(4-fluoro-2-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E881-0113
N-(4-fluoro-2-methylphenyl)-3-methyl-[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

E881-0113

Molecular Formula

C17H14FN5 (C17 H14 FN5)

Compound Name

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

IUPAC name

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

SMILES

Cc1nnc2n1c(Nc(cc1)c(C)cc1F)nc1c2cccc1

InChI

InChI=1S/C17H14FN5/c1-10-9-12(18)7-8-14(10)19-17-20-15-6-4-3-5-13(15)16-22-21-11(2)23(16)17/h3-9H,1-2H3,(H,19,20)

InChI Key

CNXUVJJRBZGXPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.271

Distribution Coefficient, logD

3.120

Water Solubility, LogSw

-3.22

Polar Surface Area

41.171

Acid Dissociation Constant (pKa)

16.04

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

E881-0113 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Immunological Library (6760 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Infections
  • Immune system
  • animal
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with E881-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E881-0113?
Check Price and Availability of E881-0113, 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 E881-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E881-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E881-0113
  • 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 E881-0113 available by request