D331-0571 Screening compound: N-{[4-(benzyloxy)phenyl]methyl}-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine

D331-0571 Screening compound: N-{[4-(benzyloxy)phenyl]methyl}-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine
D331-0571 Screening compound: N-{[4-(benzyloxy)phenyl]methyl}-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D331-0571
N-{[4-(benzyloxy)phenyl]methyl}-3-(furan-2-yl)-1H-1,2,4-triazol-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

D331-0571

Molecular Formula

C20H18N4O2 (C20 H18 N4 O2)

Compound Name

N-{[4-(benzyloxy)phenyl]methyl}-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine

IUPAC name

N-{[4-(benzyloxy)phenyl]methyl}-3-(furan-2-yl)-1H-124-triazol-5-amine

SMILES

C(c(cc1)ccc1OCc1ccccc1)Nc1nc(-c2ccco2)n[nH]1

InChI

InChI=1S/C20H18N4O2/c1-2-5-16(6-3-1)14-26-17-10-8-15(9-11-17)13-21-20-22-19(23-24-20)18-7-4-12-25-18/h1-12H,13-14H2,(H2,21,22,23,24)

InChI Key

KAQLZUWEKAMQCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.458

Distribution Coefficient, logD

3.458

Water Solubility, LogSw

-3.50

Polar Surface Area

61.198

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D331-0571 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Kinases
  • Proteases
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D331-0571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D331-0571?
Check Price and Availability of D331-0571, 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 D331-0571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D331-0571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D331-0571
  • 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 D331-0571 available by request