8006-1044 Screening compound: 5-{[4-(nonyloxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

8006-1044 Screening compound: 5-{[4-(nonyloxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
8006-1044 Screening compound: 5-{[4-(nonyloxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1044
5-{[4-(nonyloxy)phenyl]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

8006-1044

Molecular Formula

C20H26N2O4 (C20 H26 N2 O4)

Compound Name

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

IUPAC name

5-{[4-(nonyloxy)phenyl]methylidene}-13-diazinane-246-trione

SMILES

CCCCCCCCCOc1ccc(C=C(C(NC(N2)=O)=O)C2=O)cc1

InChI

InChI=1S/C20H26N2O4/c1-2-3-4-5-6-7-8-13-26-16-11-9-15(10-12-16)14-17-18(23)21-20(25)22-19(17)24/h9-12,14H,2-8,13H2,1H3,(H2,21,22,23,24,25)

InChI Key

LDNVDNNGBCAHQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00371702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.849

Distribution Coefficient, logD

4.502

Water Solubility, LogSw

-4.61

Polar Surface Area

70.061

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

8006-1044 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8006-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1044?
Check Price and Availability of 8006-1044, 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 8006-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1044
  • 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 8006-1044 available by request