L381-0108 Screening compound: N-(2,3-dihydro-1H-inden-5-yl)-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide

L381-0108 Screening compound: N-(2,3-dihydro-1H-inden-5-yl)-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide
L381-0108 Screening compound: N-(2,3-dihydro-1H-inden-5-yl)-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L381-0108
N-(2,3-dihydro-1H-inden-5-yl)-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide

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

L381-0108

Molecular Formula

C26H33N5O2S (C26 H33 N5 O2 S)

Compound Name

N-(2,3-dihydro-1H-inden-5-yl)-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide

IUPAC name

N-(23-dihydro-1H-inden-5-yl)-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide

SMILES

O=C(CSc(cc1)nnc1N(CC1)CCC1C(N1CCCCC1)=O)Nc1cc(CCC2)c2cc1

InChI

InChI=1S/C26H33N5O2S/c32-24(27-22-8-7-19-5-4-6-21(19)17-22)18-34-25-10-9-23(28-29-25)30-15-11-20(12-16-30)26(33)31-13-2-1-3-14-31/h7-10,17,20H,1-6,11-16,18H2,(H,27,32)

InChI Key

RBSSTPPOTCJCGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

4.101

Water Solubility, LogSw

-4.11

Polar Surface Area

64.071

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

L381-0108 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Others
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with L381-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L381-0108?
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What is the minimum amount of L381-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L381-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L381-0108
  • 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 L381-0108 available by request