Y041-4359 Screening compound: N~3~-(2-chlorobenzyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide

Y041-4359 Screening compound: N~3~-(2-chlorobenzyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide
Y041-4359 Screening compound: N~3~-(2-chlorobenzyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4359
N~3~-(2-chlorobenzyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-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

Y041-4359

Molecular Formula

C16H18ClN3O4S (C16 H18 ClN3 O4 S)

Compound Name

N~3~-(2-chlorobenzyl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide

IUPAC name

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

SMILES

O=C(C(CC1)=NN(C(CC2)CS2(=O)=O)C1=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C16H18ClN3O4S/c17-13-4-2-1-3-11(13)9-18-16(22)14-5-6-15(21)20(19-14)12-7-8-25(23,24)10-12/h1-4,12H,5-10H2,(H,18,22)/t12-/m0/s1

InChI Key

AZFXDQZWGPNTKB-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD10499182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.86

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.865

Distribution Coefficient, logD

0.865

Water Solubility, LogSw

-2.53

Polar Surface Area

80.083

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with Y041-4359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4359?
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What is the minimum amount of Y041-4359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4359
  • 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 Y041-4359 available by request