8020-5001 Screening compound: 2-(1,3-benzoxazol-2-yl)aniline

8020-5001 Screening compound: 2-(1,3-benzoxazol-2-yl)aniline
8020-5001 Screening compound: 2-(1,3-benzoxazol-2-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5001
2-(1,3-benzoxazol-2-yl)aniline

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

8020-5001

Molecular Formula

C13H10N2O (C13 H10 N2 O)

Compound Name

2-(1,3-benzoxazol-2-yl)aniline

IUPAC name

2-(13-benzoxazol-2-yl)aniline

SMILES

Nc(cccc1)c1-c1nc(cccc2)c2o1

InChI

InChI=1S/C13H10N2O/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,14H2

InChI Key

OHNRWJYTYFYUTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00168893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

210.24

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.084

Distribution Coefficient, logD

3.084

Water Solubility, LogSw

-3.34

Polar Surface Area

37.145

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8020-5001 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8020-5001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5001?
Check Price and Availability of 8020-5001, 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 8020-5001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5001
  • 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 8020-5001 available by request