C679-1928 Screening compound: 5-[(4-oxo-4H-chromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

C679-1928 Screening compound: 5-[(4-oxo-4H-chromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
C679-1928 Screening compound: 5-[(4-oxo-4H-chromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-1928
5-[(4-oxo-4H-chromen-3-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

C679-1928

Molecular Formula

C14H8N2O5 (C14 H8 N2 O5)

Compound Name

5-[(4-oxo-4H-chromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

5-[(4-oxo-4H-chromen-3-yl)methylidene]-13-diazinane-246-trione

SMILES

O=C1c(cccc2)c2OC=C1C=C(C(NC(N1)=O)=O)C1=O

InChI

InChI=1S/C14H8N2O5/c17-11-7(6-21-10-4-2-1-3-8(10)11)5-9-12(18)15-14(20)16-13(9)19/h1-6H,(H2,15,16,18,19,20)

InChI Key

YBKLVWLMXZLCTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00482559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.23

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.467

Distribution Coefficient, logD

-1.338

Water Solubility, LogSw

-2.35

Polar Surface Area

83.536

Acid Dissociation Constant (pKa)

5.60

Base Dissociation Constant (pKb)

-9.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C679-1928 in Drug Discovery

Included in Screening Libraries

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 C679-1928 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-1928?
Check Price and Availability of C679-1928, 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 C679-1928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-1928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-1928
  • 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 C679-1928 available by request