S576-0634 Screening compound: 1-(1-benzyl-6-oxo-1,6-dihydro-4-pyridazinyl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-pyrrolidinecarboxamide

S576-0634 Screening compound: 1-(1-benzyl-6-oxo-1,6-dihydro-4-pyridazinyl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-pyrrolidinecarboxamide
S576-0634 Screening compound: 1-(1-benzyl-6-oxo-1,6-dihydro-4-pyridazinyl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S576-0634
1-(1-benzyl-6-oxo-1,6-dihydro-4-pyridazinyl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-pyrrolidinecarboxamide

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

S576-0634

Molecular Formula

C20H24N4O4S (C20 H24 N4 O4 S)

Compound Name

1-(1-benzyl-6-oxo-1,6-dihydro-4-pyridazinyl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-pyrrolidinecarboxamide

IUPAC name

1-(1-benzyl-6-oxo-16-dihydropyridazin-4-yl)-N-(11-dioxo-1lambda6-thiolan-3-yl)pyrrolidine-3-carboxamide

SMILES

O=C(C(CC1)CN1C(C=NN1Cc2ccccc2)=CC1=O)NC(CC1)CS1(=O)=O

InChI

InChI=1S/C20H24N4O4S/c25-19-10-18(11-21-24(19)12-15-4-2-1-3-5-15)23-8-6-16(13-23)20(26)22-17-7-9-29(27,28)14-17/h1-5,10-11,16-17H,6-9,12-14H2,(H,22,26)

InChI Key

VOFVRELJJQPCNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.127

Distribution Coefficient, logD

0.112

Water Solubility, LogSw

-2.43

Polar Surface Area

85.369

Acid Dissociation Constant (pKa)

15.22

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.00

S576-0634 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Arginase Targeted Library (2009 compounds)

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

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Others
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S576-0634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S576-0634?
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What is the minimum amount of S576-0634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S576-0634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S576-0634
  • 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 S576-0634 available by request