P496-1411 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide

P496-1411 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide
P496-1411 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P496-1411
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}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

P496-1411

Molecular Formula

C20H20N4O3 (C20 H20 N4 O3)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{3-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-5-yl}acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{3-[(4-methylphenyl)methyl]-1H-124-triazol-5-yl}acetamide

SMILES

Cc1ccc(Cc2n[nH]c(CC(Nc(cc3)cc4c3OCCO4)=O)n2)cc1

InChI

InChI=1S/C20H20N4O3/c1-13-2-4-14(5-3-13)10-18-22-19(24-23-18)12-20(25)21-15-6-7-16-17(11-15)27-9-8-26-16/h2-7,11H,8-10,12H2,1H3,(H,21,25)(H,22,23,24)

InChI Key

AVZIZCDOQRLABO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27576147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.298

Distribution Coefficient, logD

2.296

Water Solubility, LogSw

-2.98

Polar Surface Area

74.705

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P496-1411 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P496-1411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P496-1411?
Check Price and Availability of P496-1411, 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 P496-1411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P496-1411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P496-1411
  • 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 P496-1411 available by request