M460-3096 Screening compound: 2-[8-(azepan-1-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide

M460-3096 Screening compound: 2-[8-(azepan-1-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
M460-3096 Screening compound: 2-[8-(azepan-1-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M460-3096
2-[8-(azepan-1-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide

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

M460-3096

Molecular Formula

C21H26N6O3 (C21 H26 N6 O3)

Compound Name

2-[8-(azepan-1-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide

IUPAC name

2-[8-(azepan-1-yl)-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide

SMILES

COc1c(CNC(CN2N=C(C(N3CCCCCC3)=NC=C3)N3C2=O)=O)cccc1

InChI

InChI=1S/C21H26N6O3/c1-30-17-9-5-4-8-16(17)14-23-18(28)15-27-21(29)26-13-10-22-19(20(26)24-27)25-11-6-2-3-7-12-25/h4-5,8-10,13H,2-3,6-7,11-12,14-15H2,1H3,(H,23,28)

InChI Key

BRUSERQZHIVRDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.949

Distribution Coefficient, logD

1.949

Water Solubility, LogSw

-2.35

Polar Surface Area

74.492

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

M460-3096 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M460-3096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M460-3096?
Check Price and Availability of M460-3096, 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 M460-3096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M460-3096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M460-3096
  • 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 M460-3096 available by request