1317-0324 Screening compound: (5E)-1-benzyl-5-[(furan-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

1317-0324 Screening compound: (5E)-1-benzyl-5-[(furan-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
1317-0324 Screening compound: (5E)-1-benzyl-5-[(furan-2-yl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1317-0324
(5E)-1-benzyl-5-[(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

1317-0324

Molecular Formula

C16H12N2O4 (C16 H12 N2 O4)

Compound Name

(5E)-1-benzyl-5-[(furan-2-yl)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-benzyl-5-[(furan-2-yl)methylidene]-13-diazinane-246-trione

SMILES

O=C(/C(/C(N1Cc2ccccc2)=O)=C\c2ccco2)NC1=O

InChI

InChI=1S/C16H12N2O4/c19-14-13(9-12-7-4-8-22-12)15(20)18(16(21)17-14)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,17,19,21)

InChI Key

GUIWKJPLRVPTPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00576153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.044

Distribution Coefficient, logD

2.017

Water Solubility, LogSw

-2.58

Polar Surface Area

61.751

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

1317-0324 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1317-0324 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1317-0324?
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What is the minimum amount of 1317-0324 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1317-0324
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1317-0324
  • 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 1317-0324 available by request