8007-5636 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-benzyl-2-acetamidoprop-2-enamide

8007-5636 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-benzyl-2-acetamidoprop-2-enamide
8007-5636 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-benzyl-2-acetamidoprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-5636
(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-benzyl-2-acetamidoprop-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

8007-5636

Molecular Formula

C19H18N2O4 (C19 H18 N2 O4)

Compound Name

(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-benzyl-2-acetamidoprop-2-enamide

IUPAC name

(2E)-3-(2H-13-benzodioxol-5-yl)-N-benzyl-2-acetamidoprop-2-enamide

SMILES

CC(N/C(/C(NCc1ccccc1)=O)=C/c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C19H18N2O4/c1-13(22)21-16(19(23)20-11-14-5-3-2-4-6-14)9-15-7-8-17-18(10-15)25-12-24-17/h2-10H,11-12H2,1H3,(H,20,23)(H,21,22)

InChI Key

BDWXGEIHUXSMQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00613326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.281

Distribution Coefficient, logD

2.264

Water Solubility, LogSw

-2.96

Polar Surface Area

63.862

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

8007-5636 in Drug Discovery

Included in Screening Libraries

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 8007-5636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-5636?
Check Price and Availability of 8007-5636, 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 8007-5636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-5636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-5636
  • 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 8007-5636 available by request