4912-0673 Screening compound: 3-{butyl[(methylsulfanyl)carbothioyl]amino}-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene

4912-0673 Screening compound: 3-{butyl[(methylsulfanyl)carbothioyl]amino}-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene
4912-0673 Screening compound: 3-{butyl[(methylsulfanyl)carbothioyl]amino}-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene alternative view

Chemical Structure Depiction of ChemDiv screening compound 4912-0673
3-{butyl[(methylsulfanyl)carbothioyl]amino}-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene

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

4912-0673

Molecular Formula

C10H19NO2S3 (C10 H19 NO2 S3)

Compound Name

3-{butyl[(methylsulfanyl)carbothioyl]amino}-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene

IUPAC name

N-butyl-N-(11-dioxo-1lambda6-thiolan-3-yl)(methylsulfanyl)carbothioamide

SMILES

CCCCN(C(CC1)CS1(=O)=O)C(SC)=S

InChI

InChI=1S/C10H19NO2S3/c1-3-4-6-11(10(14)15-2)9-5-7-16(12,13)8-9/h9H,3-8H2,1-2H3/t9-/m1/s1

InChI Key

KOILCBJGVGUPAC-SECBINFHSA-N

MDL Number (MFCD)

MFCD00449151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.857

Distribution Coefficient, logD

1.857

Water Solubility, LogSw

-1.98

Polar Surface Area

30.553

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

90.00

4912-0673 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4912-0673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4912-0673?
Check Price and Availability of 4912-0673, 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 4912-0673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4912-0673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4912-0673
  • 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 4912-0673 available by request