0632-0836 Screening compound: 4-[(1E)-2-(1,3-BENZOXAZOL-2-YL)ETHENYL]ANILINE

0632-0836 Screening compound: 4-[(1E)-2-(1,3-BENZOXAZOL-2-YL)ETHENYL]ANILINE
0632-0836 Screening compound: 4-[(1E)-2-(1,3-BENZOXAZOL-2-YL)ETHENYL]ANILINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 0632-0836
4-[(1E)-2-(1,3-BENZOXAZOL-2-YL)ETHENYL]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

0632-0836

Molecular Formula

C15H12N2O (C15 H12 N2 O)

Compound Name

4-[(1E)-2-(1,3-BENZOXAZOL-2-YL)ETHENYL]ANILINE

IUPAC name

4-[(1E)-2-(13-benzoxazol-2-yl)ethenyl]aniline

SMILES

Nc1ccc(/C=C/c2nc(cccc3)c3o2)cc1

InChI

InChI=1S/C15H12N2O/c16-12-8-5-11(6-9-12)7-10-15-17-13-3-1-2-4-14(13)18-15/h1-10H,16H2

InChI Key

PYZMFWTYTXKKNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00434205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.27

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.430

Distribution Coefficient, logD

3.430

Water Solubility, LogSw

-3.58

Polar Surface Area

37.520

Acid Dissociation Constant (pKa)

21.57

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0632-0836 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 0632-0836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0632-0836?
Check Price and Availability of 0632-0836, 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 0632-0836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0632-0836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0632-0836
  • 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 0632-0836 available by request