4100-1567 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)prop-2-enamide

4100-1567 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)prop-2-enamide
4100-1567 Screening compound: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-1567
(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)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

4100-1567

Molecular Formula

C18H17NO4 (C18 H17 NO4)

Compound Name

(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)prop-2-enamide

IUPAC name

(2E)-3-(2H-13-benzodioxol-5-yl)-N-(2-ethoxyphenyl)prop-2-enamide

SMILES

CCOc(cccc1)c1NC(/C=C/c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C18H17NO4/c1-2-21-15-6-4-3-5-14(15)19-18(20)10-8-13-7-9-16-17(11-13)23-12-22-16/h3-11H,2,12H2,1H3,(H,19,20)

InChI Key

NJHMRLMTQMDZRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00705548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.175

Distribution Coefficient, logD

4.175

Water Solubility, LogSw

-4.23

Polar Surface Area

46.744

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4100-1567 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 4100-1567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-1567?
Check Price and Availability of 4100-1567, 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 4100-1567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-1567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-1567
  • 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 4100-1567 available by request