L381-0678 Screening compound: N-cyclopropyl-1-[6-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]piperidine-4-carboxamide

L381-0678 Screening compound: N-cyclopropyl-1-[6-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]piperidine-4-carboxamide
L381-0678 Screening compound: N-cyclopropyl-1-[6-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L381-0678
N-cyclopropyl-1-[6-({[(3-methylphenyl)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

L381-0678

Molecular Formula

C22H27N5O2S (C22 H27 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(CSc(cc2)nnc2N(CC2)CCC2C(NC2CC2)=O)=O)c1

InChI

InChI=1S/C22H27N5O2S/c1-15-3-2-4-18(13-15)23-20(28)14-30-21-8-7-19(25-26-21)27-11-9-16(10-12-27)22(29)24-17-5-6-17/h2-4,7-8,13,16-17H,5-6,9-12,14H2,1H3,(H,23,28)(H,24,29)

InChI Key

YDHIQADKVSTGBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

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

2.847

Distribution Coefficient, logD

2.847

Water Solubility, LogSw

-3.17

Polar Surface Area

71.606

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

L381-0678 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with L381-0678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L381-0678?
Check Price and Availability of L381-0678, 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 L381-0678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L381-0678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L381-0678
  • 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 L381-0678 available by request