1127-1172 Screening compound: 5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine

1127-1172 Screening compound: 5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine
1127-1172 Screening compound: 5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1127-1172
5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine

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

1127-1172

Molecular Formula

C13H11N3O (C13 H11 N3 O)

Compound Name

5-(1,3-benzoxazol-2-yl)benzene-1,3-diamine

IUPAC name

5-(13-benzoxazol-2-yl)benzene-13-diamine

SMILES

Nc1cc(-c2nc(cccc3)c3o2)cc(N)c1

InChI

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

InChI Key

VEXMZKUPOWVZOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00439779

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

2.465

Distribution Coefficient, logD

2.464

Water Solubility, LogSw

-2.76

Polar Surface Area

58.661

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1127-1172 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1127-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1127-1172?
Check Price and Availability of 1127-1172, 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 1127-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1127-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1127-1172
  • 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 1127-1172 available by request