3473-3436 Screening compound: N-(2-methylphenyl)-2,1,3-benzoxadiazol-4-amine

3473-3436 Screening compound: N-(2-methylphenyl)-2,1,3-benzoxadiazol-4-amine
3473-3436 Screening compound: N-(2-methylphenyl)-2,1,3-benzoxadiazol-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3473-3436
N-(2-methylphenyl)-2,1,3-benzoxadiazol-4-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

3473-3436

Molecular Formula

C13H11N3O (C13 H11 N3 O)

Compound Name

N-(2-methylphenyl)-2,1,3-benzoxadiazol-4-amine

IUPAC name

N-(2-methylphenyl)-213-benzoxadiazol-4-amine

SMILES

Cc(cccc1)c1Nc1cccc2nonc12

InChI

InChI=1S/C13H11N3O/c1-9-5-2-3-6-10(9)14-11-7-4-8-12-13(11)16-17-15-12/h2-8,14H,1H3

InChI Key

YFVNYLDWWHJUQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00297916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

225.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.291

Distribution Coefficient, logD

4.291

Water Solubility, LogSw

-4.38

Polar Surface Area

43.845

Acid Dissociation Constant (pKa)

19.44

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

3473-3436 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3473-3436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3473-3436?
Check Price and Availability of 3473-3436, 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 3473-3436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3473-3436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3473-3436
  • 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 3473-3436 available by request