8006-1045 Screening compound: 5-[(3,4,5-TRIMETHOXYPHENYL)METHYLIDENE]-1,3-DIAZINANE-2,4,6-TRIONE

8006-1045 Screening compound: 5-[(3,4,5-TRIMETHOXYPHENYL)METHYLIDENE]-1,3-DIAZINANE-2,4,6-TRIONE
8006-1045 Screening compound: 5-[(3,4,5-TRIMETHOXYPHENYL)METHYLIDENE]-1,3-DIAZINANE-2,4,6-TRIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1045
5-[(3,4,5-TRIMETHOXYPHENYL)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

8006-1045

Molecular Formula

C14H14N2O6 (C14 H14 N2 O6)

Compound Name

5-[(3,4,5-TRIMETHOXYPHENYL)METHYLIDENE]-1,3-DIAZINANE-2,4,6-TRIONE

IUPAC name

n/a

SMILES

COc1cc(C=C(C(NC(N2)=O)=O)C2=O)cc(OC)c1OC

InChI

InChI=1S/C14H14N2O6/c1-20-9-5-7(6-10(21-2)11(9)22-3)4-8-12(17)15-14(19)16-13(8)18/h4-6H,1-3H3,(H2,15,16,17,18,19)

InChI Key

NILAHWJMFWKLKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00117932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.632

Distribution Coefficient, logD

0.285

Water Solubility, LogSw

-1.92

Polar Surface Area

85.621

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.00

8006-1045 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 8006-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1045?
Check Price and Availability of 8006-1045, 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 8006-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1045
  • 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 8006-1045 available by request