3679-1394 Screening compound: (5E)-1-(4-ethoxyphenyl)-5-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

3679-1394 Screening compound: (5E)-1-(4-ethoxyphenyl)-5-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
3679-1394 Screening compound: (5E)-1-(4-ethoxyphenyl)-5-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3679-1394
(5E)-1-(4-ethoxyphenyl)-5-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

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

3679-1394

Molecular Formula

C22H23N3O5 (C22 H23 N3 O5)

Compound Name

(5E)-1-(4-ethoxyphenyl)-5-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-(4-ethoxyphenyl)-5-{[5-(piperidin-1-yl)furan-2-yl]methylidene}-13-diazinane-246-trione

SMILES

CCOc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c2ccc(N3CCCCC3)o2)=O)C1=O

InChI

InChI=1S/C22H23N3O5/c1-2-29-16-8-6-15(7-9-16)25-21(27)18(20(26)23-22(25)28)14-17-10-11-19(30-17)24-12-4-3-5-13-24/h6-11,14H,2-5,12-13H2,1H3,(H,23,26,28)

InChI Key

OWZXIWJSMUOSPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.096

Distribution Coefficient, logD

2.783

Water Solubility, LogSw

-3.37

Polar Surface Area

72.416

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

3679-1394 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3679-1394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3679-1394?
Check Price and Availability of 3679-1394, 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 3679-1394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3679-1394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3679-1394
  • 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 3679-1394 available by request