4779-0060 Screening compound: 5-{[(2,5-dimethoxyphenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione

4779-0060 Screening compound: 5-{[(2,5-dimethoxyphenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione
4779-0060 Screening compound: 5-{[(2,5-dimethoxyphenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4779-0060
5-{[(2,5-dimethoxyphenyl)amino]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

4779-0060

Molecular Formula

C13H13N3O5 (C13 H13 N3 O5)

Compound Name

5-{[(2,5-dimethoxyphenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

5-{[(25-dimethoxyphenyl)amino]methylidene}-13-diazinane-246-trione

SMILES

COc(cc1)cc(NC=C(C(NC(N2)=O)=O)C2=O)c1OC

InChI

InChI=1S/C13H13N3O5/c1-20-7-3-4-10(21-2)9(5-7)14-6-8-11(17)15-13(19)16-12(8)18/h3-6,14H,1-2H3,(H2,15,16,17,18,19)

InChI Key

OKMLSCGJLAXVCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00245607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.471

Distribution Coefficient, logD

-0.175

Water Solubility, LogSw

-1.98

Polar Surface Area

88.720

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

4779-0060 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4779-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4779-0060?
Check Price and Availability of 4779-0060, 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 4779-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4779-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4779-0060
  • 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 4779-0060 available by request