3820-0080 Screening compound: 2-(pyridin-4-yl)-1,3-benzoxazol-5-amine

3820-0080 Screening compound: 2-(pyridin-4-yl)-1,3-benzoxazol-5-amine
3820-0080 Screening compound: 2-(pyridin-4-yl)-1,3-benzoxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3820-0080
2-(pyridin-4-yl)-1,3-benzoxazol-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

3820-0080

Molecular Formula

C12H9N3O (C12 H9 N3 O)

Compound Name

2-(pyridin-4-yl)-1,3-benzoxazol-5-amine

IUPAC name

2-(pyridin-4-yl)-13-benzoxazol-5-amine

SMILES

Nc(cc1)cc2c1oc(-c1ccncc1)n2

InChI

InChI=1S/C12H9N3O/c13-9-1-2-11-10(7-9)15-12(16-11)8-3-5-14-6-4-8/h1-7H,13H2

InChI Key

ZCTHPTXYNUMPGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00448006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

211.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.395

Distribution Coefficient, logD

1.394

Water Solubility, LogSw

-1.29

Polar Surface Area

47.283

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3820-0080 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3820-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3820-0080?
Check Price and Availability of 3820-0080, 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 3820-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3820-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3820-0080
  • 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 3820-0080 available by request