8515-4461 Screening compound: N-(2-methylphenyl)-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

8515-4461 Screening compound: N-(2-methylphenyl)-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide
8515-4461 Screening compound: N-(2-methylphenyl)-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8515-4461
N-(2-methylphenyl)-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

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

8515-4461

Molecular Formula

C17H16N2O3 (C17 H16 N2 O3)

Compound Name

N-(2-methylphenyl)-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide

IUPAC name

N-(2-methylphenyl)-3-(2-oxo-23-dihydro-13-benzoxazol-3-yl)propanamide

SMILES

Cc(cccc1)c1NC(CCN(c(cccc1)c1O1)C1=O)=O

InChI

InChI=1S/C17H16N2O3/c1-12-6-2-3-7-13(12)18-16(20)10-11-19-14-8-4-5-9-15(14)22-17(19)21/h2-9H,10-11H2,1H3,(H,18,20)

InChI Key

DELLJGWKPIPZLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04468224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.436

Distribution Coefficient, logD

2.436

Water Solubility, LogSw

-2.70

Polar Surface Area

45.497

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8515-4461 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8515-4461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8515-4461?
Check Price and Availability of 8515-4461, 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 8515-4461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8515-4461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8515-4461
  • 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 8515-4461 available by request