8005-3662 Screening compound: 5-{[4-(octyloxy)phenyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

8005-3662 Screening compound: 5-{[4-(octyloxy)phenyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
8005-3662 Screening compound: 5-{[4-(octyloxy)phenyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-3662
5-{[4-(octyloxy)phenyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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

8005-3662

Molecular Formula

C19H24N2O3S (C19 H24 N2 O3 S)

Compound Name

5-{[4-(octyloxy)phenyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

IUPAC name

5-{[4-(octyloxy)phenyl]methylidene}-2-sulfanylidene-13-diazinane-46-dione

SMILES

CCCCCCCCOc1ccc(C=C(C(NC(N2)=S)=O)C2=O)cc1

InChI

InChI=1S/C19H24N2O3S/c1-2-3-4-5-6-7-12-24-15-10-8-14(9-11-15)13-16-17(22)20-19(25)21-18(16)23/h8-11,13H,2-7,12H2,1H3,(H2,20,21,22,23,25)

InChI Key

PAIGZGGAIPYVNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00374422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.449

Distribution Coefficient, logD

5.023

Water Solubility, LogSw

-5.26

Polar Surface Area

57.044

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-9.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

8005-3662 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 8005-3662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-3662?
Check Price and Availability of 8005-3662, 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 8005-3662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-3662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-3662
  • 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 8005-3662 available by request