M466-0498 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[3-(pyridin-2-yl)-1,2-oxazol-5-yl]prop-2-enamide

M466-0498 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[3-(pyridin-2-yl)-1,2-oxazol-5-yl]prop-2-enamide
M466-0498 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[3-(pyridin-2-yl)-1,2-oxazol-5-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M466-0498
(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[3-(pyridin-2-yl)-1,2-oxazol-5-yl]prop-2-enamide

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

M466-0498

Molecular Formula

C18H13N3O4 (C18 H13 N3 O4)

Compound Name

(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[3-(pyridin-2-yl)-1,2-oxazol-5-yl]prop-2-enamide

IUPAC name

(2E)-3-(2H-13-benzodioxol-5-yl)-N-[3-(pyridin-2-yl)-12-oxazol-5-yl]prop-2-enamide

SMILES

O=C(/C=C/c(cc1)cc2c1OCO2)Nc1cc(-c2ncccc2)no1

InChI

InChI=1S/C18H13N3O4/c22-17(7-5-12-4-6-15-16(9-12)24-11-23-15)20-18-10-14(21-25-18)13-3-1-2-8-19-13/h1-10H,11H2,(H,20,22)

InChI Key

DVLSFBQOYPRLFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.255

Distribution Coefficient, logD

3.254

Water Solubility, LogSw

-3.34

Polar Surface Area

71.560

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

M466-0498 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M466-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M466-0498?
Check Price and Availability of M466-0498, 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 M466-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M466-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M466-0498
  • 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 M466-0498 available by request