L381-0595 Screening compound: N-cyclopropyl-1-[6-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]piperidine-4-carboxamide

L381-0595 Screening compound: N-cyclopropyl-1-[6-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]piperidine-4-carboxamide
L381-0595 Screening compound: N-cyclopropyl-1-[6-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L381-0595
N-cyclopropyl-1-[6-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]piperidine-4-carboxamide

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

L381-0595

Molecular Formula

C23H27N5O4S (C23 H27 N5 O4 S)

Compound Name

N-cyclopropyl-1-[6-({[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]piperidine-4-carboxamide

IUPAC name

N-cyclopropyl-1-[6-({[(23-dihydro-14-benzodioxin-6-yl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]piperidine-4-carboxamide

SMILES

O=C(CSc(cc1)nnc1N(CC1)CCC1C(NC1CC1)=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C23H27N5O4S/c29-21(24-17-3-4-18-19(13-17)32-12-11-31-18)14-33-22-6-5-20(26-27-22)28-9-7-15(8-10-28)23(30)25-16-1-2-16/h3-6,13,15-16H,1-2,7-12,14H2,(H,24,29)(H,25,30)

InChI Key

FSGQYLOBJGFOEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.460

Distribution Coefficient, logD

1.460

Water Solubility, LogSw

-2.45

Polar Surface Area

87.429

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

L381-0595 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L381-0595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L381-0595?
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What is the minimum amount of L381-0595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L381-0595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L381-0595
  • 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 L381-0595 available by request