0326-0525 Screening compound: 5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

0326-0525 Screening compound: 5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
0326-0525 Screening compound: 5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0326-0525
5-[(2-methoxyphenyl)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

0326-0525

Molecular Formula

C12H10N2O3S (C12 H10 N2 O3 S)

Compound Name

5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-13-diazinane-46-dione

SMILES

COc1c(C=C(C(NC(N2)=S)=O)C2=O)cccc1

InChI

InChI=1S/C12H10N2O3S/c1-17-9-5-3-2-4-7(9)6-8-10(15)13-12(18)14-11(8)16/h2-6H,1H3,(H2,13,14,15,16,18)

InChI Key

LTLFWHGHBXCENB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00181629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.034

Distribution Coefficient, logD

1.772

Water Solubility, LogSw

-2.62

Polar Surface Area

57.256

Acid Dissociation Constant (pKa)

7.48

Base Dissociation Constant (pKb)

-10.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

0326-0525 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0326-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0326-0525?
Check Price and Availability of 0326-0525, 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 0326-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0326-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0326-0525
  • 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 0326-0525 available by request