L381-1280 Screening compound: 1-[6-({[(3-chloro-4-fluorophenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-propylpiperidine-4-carboxamide

L381-1280 Screening compound: 1-[6-({[(3-chloro-4-fluorophenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-propylpiperidine-4-carboxamide
L381-1280 Screening compound: 1-[6-({[(3-chloro-4-fluorophenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-propylpiperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L381-1280
1-[6-({[(3-chloro-4-fluorophenyl)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

L381-1280

Molecular Formula

C21H25ClFN5O2S (C21 H25 ClFN5 O2 S)

Compound Name

1-[6-({[(3-chloro-4-fluorophenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-propylpiperidine-4-carboxamide

IUPAC name

1-[6-({[(3-chloro-4-fluorophenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-propylpiperidine-4-carboxamide

SMILES

CCCNC(C(CC1)CCN1c(cc1)nnc1SCC(Nc(cc1)cc(Cl)c1F)=O)=O

InChI

InChI=1S/C21H25ClFN5O2S/c1-2-9-24-21(30)14-7-10-28(11-8-14)18-5-6-20(27-26-18)31-13-19(29)25-15-3-4-17(23)16(22)12-15/h3-6,12,14H,2,7-11,13H2,1H3,(H,24,30)(H,25,29)

InChI Key

RXOVPKZPARVEOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.98

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

3.571

Distribution Coefficient, logD

3.561

Water Solubility, LogSw

-3.85

Polar Surface Area

71.663

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

L381-1280 in Drug Discovery

Included in Screening Libraries

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

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 L381-1280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L381-1280?
Check Price and Availability of L381-1280, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L381-1280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L381-1280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L381-1280
  • 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 L381-1280 available by request