6005-0061 Screening compound: 2-[(2E)-3-(5-methylfuran-2-yl)prop-2-enamido]benzamide

6005-0061 Screening compound: 2-[(2E)-3-(5-methylfuran-2-yl)prop-2-enamido]benzamide
6005-0061 Screening compound: 2-[(2E)-3-(5-methylfuran-2-yl)prop-2-enamido]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6005-0061
2-[(2E)-3-(5-methylfuran-2-yl)prop-2-enamido]benzamide

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

6005-0061

Molecular Formula

C15H14N2O3 (C15 H14 N2 O3)

Compound Name

2-[(2E)-3-(5-methylfuran-2-yl)prop-2-enamido]benzamide

IUPAC name

2-[(2E)-3-(5-methylfuran-2-yl)prop-2-enamido]benzamide

SMILES

Cc1ccc(/C=C/C(Nc(cccc2)c2C(N)=O)=O)o1

InChI

InChI=1S/C15H14N2O3/c1-10-6-7-11(20-10)8-9-14(18)17-13-5-3-2-4-12(13)15(16)19/h2-9H,1H3,(H2,16,19)(H,17,18)

InChI Key

XWXNPQIHHVMAHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03386451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.262

Distribution Coefficient, logD

2.262

Water Solubility, LogSw

-3.03

Polar Surface Area

63.740

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

6005-0061 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6005-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6005-0061?
Check Price and Availability of 6005-0061, 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 6005-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6005-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6005-0061
  • 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 6005-0061 available by request