D331-0286 Screening compound: 3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine

D331-0286 Screening compound: 3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine
D331-0286 Screening compound: 3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D331-0286
3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-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

D331-0286

Molecular Formula

C14H14N4O2 (C14 H14 N4 O2)

Compound Name

3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine

IUPAC name

3-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1H-124-triazol-5-amine

SMILES

COc1c(CNc2nc(-c3ccco3)n[nH]2)cccc1

InChI

InChI=1S/C14H14N4O2/c1-19-11-6-3-2-5-10(11)9-15-14-16-13(17-18-14)12-7-4-8-20-12/h2-8H,9H2,1H3,(H2,15,16,17,18)

InChI Key

DVMFCRGPHRRNPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.265

Distribution Coefficient, logD

2.265

Water Solubility, LogSw

-2.45

Polar Surface Area

61.601

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D331-0286 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D331-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D331-0286?
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What is the minimum amount of D331-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D331-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D331-0286
  • 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 D331-0286 available by request