8008-5141 Screening compound: 5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

8008-5141 Screening compound: 5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
8008-5141 Screening compound: 5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5141
5-[(4-ethylphenyl)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

8008-5141

Molecular Formula

C13H12N2O2S (C13 H12 N2 O2 S)

Compound Name

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

IUPAC name

5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-13-diazinane-46-dione

SMILES

CCc1ccc(C=C(C(NC(N2)=S)=O)C2=O)cc1

InChI

InChI=1S/C13H12N2O2S/c1-2-8-3-5-9(6-4-8)7-10-11(16)14-13(18)15-12(10)17/h3-7H,2H2,1H3,(H2,14,15,16,17,18)

InChI Key

DRSLZTVROCTYPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01116559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.909

Distribution Coefficient, logD

2.484

Water Solubility, LogSw

-3.37

Polar Surface Area

49.626

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

-9.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

8008-5141 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8008-5141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5141?
Check Price and Availability of 8008-5141, 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 8008-5141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5141
  • 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 8008-5141 available by request