4489-3194 Screening compound: 5-{[4-(benzyloxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

4489-3194 Screening compound: 5-{[4-(benzyloxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
4489-3194 Screening compound: 5-{[4-(benzyloxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-3194
5-{[4-(benzyloxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

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

4489-3194

Molecular Formula

C18H14N2O3S (C18 H14 N2 O3 S)

Compound Name

5-{[4-(benzyloxy)phenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

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

SMILES

O=C(C(C(N1)=O)=Cc(cc2)ccc2OCc2ccccc2)NC1=S

InChI

InChI=1S/C18H14N2O3S/c21-16-15(17(22)20-18(24)19-16)10-12-6-8-14(9-7-12)23-11-13-4-2-1-3-5-13/h1-10H,11H2,(H2,19,20,21,22,24)

InChI Key

ATOXNHIHPBTBSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00292325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.393

Distribution Coefficient, logD

2.967

Water Solubility, LogSw

-3.68

Polar Surface Area

56.853

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-9.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

4489-3194 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 compounds)

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4489-3194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-3194?
Check Price and Availability of 4489-3194, 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 4489-3194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-3194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-3194
  • 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 4489-3194 available by request