3992-0994 Screening compound: 2-(BUTYLSULFANYL)-4(3H)-PYRIMIDINONE

3992-0994 Screening compound: 2-(BUTYLSULFANYL)-4(3H)-PYRIMIDINONE
3992-0994 Screening compound: 2-(BUTYLSULFANYL)-4(3H)-PYRIMIDINONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3992-0994
2-(BUTYLSULFANYL)-4(3H)-PYRIMIDINONE

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

3992-0994

Molecular Formula

C8H12N2OS (C8 H12 N2 OS)

Compound Name

2-(BUTYLSULFANYL)-4(3H)-PYRIMIDINONE

IUPAC name

n/a

SMILES

CCCCSC(N1)=NC=CC1=O

InChI

InChI=1S/C8H12N2OS/c1-2-3-6-12-8-9-5-4-7(11)10-8/h4-5H,2-3,6H2,1H3,(H,9,10,11)

InChI Key

FCXIAZMHGVYTNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02357223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

184.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.779

Distribution Coefficient, logD

1.420

Water Solubility, LogSw

-2.32

Polar Surface Area

34.867

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

3992-0994 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3992-0994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3992-0994?
Check Price and Availability of 3992-0994, 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 3992-0994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3992-0994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3992-0994
  • 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 3992-0994 available by request