L381-0870 Screening compound: 1-[6-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-(propan-2-yl)piperidine-4-carboxamide

L381-0870 Screening compound: 1-[6-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-(propan-2-yl)piperidine-4-carboxamide
L381-0870 Screening compound: 1-[6-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-(propan-2-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L381-0870
1-[6-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-(propan-2-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

L381-0870

Molecular Formula

C21H26ClN5O2S (C21 H26 ClN5 O2 S)

Compound Name

1-[6-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-(propan-2-yl)piperidine-4-carboxamide

IUPAC name

1-[6-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-(propan-2-yl)piperidine-4-carboxamide

SMILES

CC(C)NC(C(CC1)CCN1c(cc1)nnc1SCC(Nc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C21H26ClN5O2S/c1-14(2)23-21(29)15-9-11-27(12-10-15)18-7-8-20(26-25-18)30-13-19(28)24-17-5-3-16(22)4-6-17/h3-8,14-15H,9-13H2,1-2H3,(H,23,29)(H,24,28)

InChI Key

CGLAXWLLDGVAGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.324

Distribution Coefficient, logD

3.323

Water Solubility, LogSw

-3.72

Polar Surface Area

70.795

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

L381-0870 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with L381-0870 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L381-0870?
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What is the minimum amount of L381-0870 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L381-0870
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L381-0870
  • 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 L381-0870 available by request