4065-0195 Screening compound: 5-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione

4065-0195 Screening compound: 5-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione
4065-0195 Screening compound: 5-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4065-0195
5-butyl-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

4065-0195

Molecular Formula

C8H12N2O2S (C8 H12 N2 O2 S)

Compound Name

5-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

5-butyl-2-sulfanylidene-13-diazinane-46-dione

SMILES

CCCCC(C(NC(N1)=S)=O)C1=O

InChI

InChI=1S/C8H12N2O2S/c1-2-3-4-5-6(11)9-8(13)10-7(5)12/h5H,2-4H2,1H3,(H2,9,10,11,12,13)

InChI Key

IRSXYVMZLDSECN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00092877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

200.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.101

Distribution Coefficient, logD

-1.804

Water Solubility, LogSw

-1.97

Polar Surface Area

49.897

Acid Dissociation Constant (pKa)

4.49

Base Dissociation Constant (pKb)

-10.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

4065-0195 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4065-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4065-0195?
Check Price and Availability of 4065-0195, 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 4065-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4065-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4065-0195
  • 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 4065-0195 available by request