4244-1034 Screening compound: 4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]aniline

4244-1034 Screening compound: 4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]aniline
4244-1034 Screening compound: 4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4244-1034
4-[5-(propan-2-yl)-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

4244-1034

Molecular Formula

C16H16N2O (C16 H16 N2 O)

Compound Name

4-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]aniline

IUPAC name

4-[5-(propan-2-yl)-13-benzoxazol-2-yl]aniline

SMILES

CC(C)c(cc1)cc2c1oc(-c(cc1)ccc1N)n2

InChI

InChI=1S/C16H16N2O/c1-10(2)12-5-8-15-14(9-12)18-16(19-15)11-3-6-13(17)7-4-11/h3-10H,17H2,1-2H3

InChI Key

FBVSYPIUCWRDNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02628412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.32

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

3.695

Distribution Coefficient, logD

3.695

Water Solubility, LogSw

-4.07

Polar Surface Area

37.855

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

4244-1034 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 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

References: we are preparing a list of scientific research reports with 4244-1034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4244-1034?
Check Price and Availability of 4244-1034, 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 4244-1034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4244-1034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4244-1034
  • 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 4244-1034 available by request