Y041-4416 Screening compound: 3-[6-oxo-3-(1,4-thiazinan-4-ylcarbonyl)-5,6-dihydro-1(4H)-pyridazinyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

Y041-4416 Screening compound: 3-[6-oxo-3-(1,4-thiazinan-4-ylcarbonyl)-5,6-dihydro-1(4H)-pyridazinyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
Y041-4416 Screening compound: 3-[6-oxo-3-(1,4-thiazinan-4-ylcarbonyl)-5,6-dihydro-1(4H)-pyridazinyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4416
3-[6-oxo-3-(1,4-thiazinan-4-ylcarbonyl)-5,6-dihydro-1(4H)-pyridazinyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-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

Y041-4416

Molecular Formula

C13H19N3O4S2 (C13 H19 N3 O4 S2)

Compound Name

3-[6-oxo-3-(1,4-thiazinan-4-ylcarbonyl)-5,6-dihydro-1(4H)-pyridazinyl]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

3-[6-oxo-3-(thiomorpholine-4-carbonyl)-1456-tetrahydropyridazin-1-yl]-1lambda6-thiolane-11-dione

SMILES

O=C(C(CC1)=NN(C(CC2)CS2(=O)=O)C1=O)N1CCSCC1

InChI

InChI=1S/C13H19N3O4S2/c17-12-2-1-11(13(18)15-4-6-21-7-5-15)14-16(12)10-3-8-22(19,20)9-10/h10H,1-9H2/t10-/m1/s1

InChI Key

JUBIEGQAYAGCQA-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD19709697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.910

Distribution Coefficient, logD

-0.910

Water Solubility, LogSw

-1.08

Polar Surface Area

72.318

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.90

Y041-4416 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with Y041-4416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4416?
Check Price and Availability of Y041-4416, 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 Y041-4416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4416
  • 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 Y041-4416 available by request