L381-1348 Screening compound: 1-[6-({[(2-fluoro-4-methylphenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-propylpiperidine-4-carboxamide

L381-1348 Screening compound: 1-[6-({[(2-fluoro-4-methylphenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-propylpiperidine-4-carboxamide
L381-1348 Screening compound: 1-[6-({[(2-fluoro-4-methylphenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-propylpiperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L381-1348
1-[6-({[(2-fluoro-4-methylphenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-propylpiperidine-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

L381-1348

Molecular Formula

C22H28FN5O2S (C22 H28 FN5 O2 S)

Compound Name

1-[6-({[(2-fluoro-4-methylphenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-propylpiperidine-4-carboxamide

IUPAC name

1-[6-({[(2-fluoro-4-methylphenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-propylpiperidine-4-carboxamide

SMILES

CCCNC(C(CC1)CCN1c(cc1)nnc1SCC(Nc(ccc(C)c1)c1F)=O)=O

InChI

InChI=1S/C22H28FN5O2S/c1-3-10-24-22(30)16-8-11-28(12-9-16)19-6-7-21(27-26-19)31-14-20(29)25-18-5-4-15(2)13-17(18)23/h4-7,13,16H,3,8-12,14H2,1-2H3,(H,24,30)(H,25,29)

InChI Key

DURWZJIPQLSNFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.183

Distribution Coefficient, logD

3.183

Water Solubility, LogSw

-3.14

Polar Surface Area

70.965

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

L381-1348 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with L381-1348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L381-1348?
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What is the minimum amount of L381-1348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L381-1348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L381-1348
  • 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 L381-1348 available by request