E973-0319 Screening compound: 4-benzyl-1-{3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}piperidine

E973-0319 Screening compound: 4-benzyl-1-{3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}piperidine
E973-0319 Screening compound: 4-benzyl-1-{3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E973-0319
4-benzyl-1-{3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}piperidine

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

E973-0319

Molecular Formula

C23H25N5 (C23 H25 N5)

Compound Name

4-benzyl-1-{3-ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl}piperidine

IUPAC name

4-benzyl-1-{3-ethyl-[124]triazolo[43-c]quinazolin-5-yl}piperidine

SMILES

CCc1nnc2n1c(N1CCC(Cc3ccccc3)CC1)nc1c2cccc1

InChI

InChI=1S/C23H25N5/c1-2-21-25-26-22-19-10-6-7-11-20(19)24-23(28(21)22)27-14-12-18(13-15-27)16-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3

InChI Key

XBEVNLYCITWBDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.081

Distribution Coefficient, logD

5.061

Water Solubility, LogSw

-5.22

Polar Surface Area

33.969

Acid Dissociation Constant (pKa)

20.16

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

E973-0319 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E973-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E973-0319?
Check Price and Availability of E973-0319, 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 E973-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E973-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E973-0319
  • 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 E973-0319 available by request