4269-3079 Screening compound: 3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]aniline

4269-3079 Screening compound: 3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]aniline
4269-3079 Screening compound: 3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4269-3079
3-[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

4269-3079

Molecular Formula

C16H16N2O (C16 H16 N2 O)

Compound Name

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

IUPAC name

3-[5-(propan-2-yl)-13-benzoxazol-2-yl]aniline

SMILES

CC(C)c(cc1)cc2c1oc(-c1cc(N)ccc1)n2

InChI

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

InChI Key

ZTQHZYKIBXKILV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02628409

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

3.762

Distribution Coefficient, logD

3.761

Water Solubility, LogSw

-4.07

Polar Surface Area

37.855

Acid Dissociation Constant (pKa)

22.87

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

4269-3079 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 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 4269-3079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4269-3079?
Check Price and Availability of 4269-3079, 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 4269-3079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4269-3079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4269-3079
  • 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 4269-3079 available by request