E881-0053 Screening compound: 1-(3-chlorophenyl)-4-{3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}piperazine

E881-0053 Screening compound: 1-(3-chlorophenyl)-4-{3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}piperazine
E881-0053 Screening compound: 1-(3-chlorophenyl)-4-{3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E881-0053
1-(3-chlorophenyl)-4-{3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}piperazine

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

E881-0053

Molecular Formula

C20H19ClN6 (C20 H19 ClN6)

Compound Name

1-(3-chlorophenyl)-4-{3-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}piperazine

IUPAC name

1-(3-chlorophenyl)-4-{3-methyl-[124]triazolo[43-c]quinazolin-5-yl}piperazine

SMILES

Cc1nnc2n1c(N(CC1)CCN1c1cccc(Cl)c1)nc1c2cccc1

InChI

InChI=1S/C20H19ClN6/c1-14-23-24-19-17-7-2-3-8-18(17)22-20(27(14)19)26-11-9-25(10-12-26)16-6-4-5-15(21)13-16/h2-8,13H,9-12H2,1H3

InChI Key

DBBZJNOTIQTOAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.699

Distribution Coefficient, logD

3.554

Water Solubility, LogSw

-4.01

Polar Surface Area

37.302

Acid Dissociation Constant (pKa)

20.66

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E881-0053 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with E881-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E881-0053?
Check Price and Availability of E881-0053, 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 E881-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E881-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E881-0053
  • 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 E881-0053 available by request