K808-9415 Screening compound: (2E)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(furan-2-yl)prop-2-enamide

K808-9415 Screening compound: (2E)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(furan-2-yl)prop-2-enamide
K808-9415 Screening compound: (2E)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(furan-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K808-9415
(2E)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(furan-2-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

K808-9415

Molecular Formula

C15H13NO4 (C15 H13 NO4)

Compound Name

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

IUPAC name

(2E)-N-[(2H-13-benzodioxol-5-yl)methyl]-3-(furan-2-yl)prop-2-enamide

SMILES

O=C(/C=C/c1ccco1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C15H13NO4/c17-15(6-4-12-2-1-7-18-12)16-9-11-3-5-13-14(8-11)20-10-19-13/h1-8H,9-10H2,(H,16,17)

InChI Key

DUBNFGOONLXJAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02107565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.27

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

2.454

Distribution Coefficient, logD

2.454

Water Solubility, LogSw

-2.82

Polar Surface Area

49.303

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

K808-9415 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K808-9415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K808-9415?
Check Price and Availability of K808-9415, 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 K808-9415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K808-9415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K808-9415
  • 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 K808-9415 available by request