Y041-4339 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(3-fluorophenethyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide

Y041-4339 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(3-fluorophenethyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide
Y041-4339 Screening compound: 1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(3-fluorophenethyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4339
1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(3-fluorophenethyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide

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

Y041-4339

Molecular Formula

C17H20FN3O4S (C17 H20 FN3 O4 S)

Compound Name

1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(3-fluorophenethyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide

IUPAC name

1-(11-dioxo-1lambda6-thiolan-3-yl)-N-[2-(3-fluorophenyl)ethyl]-6-oxo-1456-tetrahydropyridazine-3-carboxamide

SMILES

O=C(C(CC1)=NN(C(CC2)CS2(=O)=O)C1=O)NCCc1cc(F)ccc1

InChI

InChI=1S/C17H20FN3O4S/c18-13-3-1-2-12(10-13)6-8-19-17(23)15-4-5-16(22)21(20-15)14-7-9-26(24,25)11-14/h1-3,10,14H,4-9,11H2,(H,19,23)/t14-/m1/s1

InChI Key

LIEOSDRLGMIWRY-CQSZACIVSA-N

MDL Number (MFCD)

MFCD16560847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.083

Distribution Coefficient, logD

0.083

Water Solubility, LogSw

-2.20

Polar Surface Area

79.925

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

Y041-4339 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y041-4339 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y041-4339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4339
  • 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 Y041-4339 available by request