0109-0055 Screening compound: 2-(4-aminophenyl)-1,3-benzoxazol-5-amine

0109-0055 Screening compound: 2-(4-aminophenyl)-1,3-benzoxazol-5-amine
0109-0055 Screening compound: 2-(4-aminophenyl)-1,3-benzoxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0109-0055
2-(4-aminophenyl)-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

0109-0055

Molecular Formula

C13H11N3O (C13 H11 N3 O)

Compound Name

2-(4-aminophenyl)-1,3-benzoxazol-5-amine

IUPAC name

2-(4-aminophenyl)-13-benzoxazol-5-amine

SMILES

Nc(cc1)ccc1-c1nc(cc(cc2)N)c2o1

InChI

InChI=1S/C13H11N3O/c14-9-3-1-8(2-4-9)13-16-11-7-10(15)5-6-12(11)17-13/h1-7H,14-15H2

InChI Key

UMGYJGHIMRFYSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00445970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

225.25

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.551

Distribution Coefficient, logD

1.551

Water Solubility, LogSw

-1.92

Polar Surface Area

58.661

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0109-0055 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

Fragments Library (11262 compounds)

Human Receptors Annotated Library (5376 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Structure:
  • Fragments
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 0109-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0109-0055?
Check Price and Availability of 0109-0055, 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 0109-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0109-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0109-0055
  • 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 0109-0055 available by request