3379-3259 Screening compound: (2Z)-3-(2H-1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)-2-[(2-methoxyphenyl)formamido]prop-2-enamide

3379-3259 Screening compound: (2Z)-3-(2H-1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)-2-[(2-methoxyphenyl)formamido]prop-2-enamide
3379-3259 Screening compound: (2Z)-3-(2H-1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)-2-[(2-methoxyphenyl)formamido]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-3259
(2Z)-3-(2H-1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)-2-[(2-methoxyphenyl)formamido]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

3379-3259

Molecular Formula

C21H22N2O6 (C21 H22 N2 O6)

Compound Name

(2Z)-3-(2H-1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)-2-[(2-methoxyphenyl)formamido]prop-2-enamide

IUPAC name

(2Z)-3-(2H-13-benzodioxol-5-yl)-N-(3-hydroxypropyl)-2-[(2-methoxyphenyl)formamido]prop-2-enamide

SMILES

COc(cccc1)c1C(N/C(/C(NCCCO)=O)=C\c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C21H22N2O6/c1-27-17-6-3-2-5-15(17)20(25)23-16(21(26)22-9-4-10-24)11-14-7-8-18-19(12-14)29-13-28-18/h2-3,5-8,11-12,24H,4,9-10,13H2,1H3,(H,22,26)(H,23,25)

InChI Key

XWYMQDHCHPBASG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01942524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.442

Distribution Coefficient, logD

-0.545

Water Solubility, LogSw

-2.38

Polar Surface Area

88.091

Acid Dissociation Constant (pKa)

5.42

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

3379-3259 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3379-3259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-3259?
Check Price and Availability of 3379-3259, 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 3379-3259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-3259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-3259
  • 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 3379-3259 available by request