8007-8032 Screening compound: 5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-amine

8007-8032 Screening compound: 5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-amine
8007-8032 Screening compound: 5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-8032
5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-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

8007-8032

Molecular Formula

C9H10N4O (C9 H10 N4 O)

Compound Name

5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-amine

IUPAC name

5-(2-methoxyphenyl)-4H-124-triazol-3-amine

SMILES

COc(cccc1)c1-c1nnc(N)[nH]1

InChI

InChI=1S/C9H10N4O/c1-14-7-5-3-2-4-6(7)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13)

InChI Key

VPYFFIZLDRLOFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00461055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

190.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.574

Distribution Coefficient, logD

0.561

Water Solubility, LogSw

-2.00

Polar Surface Area

62.120

Acid Dissociation Constant (pKa)

5.17

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8007-8032 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8007-8032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-8032?
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What is the minimum amount of 8007-8032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-8032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-8032
  • 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 8007-8032 available by request