E881-0012 Screening compound: N-(3-chloro-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

E881-0012 Screening compound: N-(3-chloro-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
E881-0012 Screening compound: N-(3-chloro-4-methylphenyl)-3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E881-0012
N-(3-chloro-4-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

E881-0012

Molecular Formula

C17H14ClN5 (C17 H14 ClN5)

Compound Name

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

IUPAC name

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

SMILES

Cc1nnc2n1c(Nc1cc(Cl)c(C)cc1)nc1c2cccc1

InChI

InChI=1S/C17H14ClN5/c1-10-7-8-12(9-14(10)18)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

MAUIWTAQQSLYML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.78

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

4.413

Distribution Coefficient, logD

4.261

Water Solubility, LogSw

-4.50

Polar Surface Area

41.868

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

E881-0012 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 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
  • 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
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with E881-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E881-0012?
Check Price and Availability of E881-0012, 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 E881-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E881-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E881-0012
  • 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 E881-0012 available by request