L381-0694 Screening compound: N-cyclopropyl-1-[6-({[(2-ethyl-6-methylphenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]piperidine-4-carboxamide

L381-0694 Screening compound: N-cyclopropyl-1-[6-({[(2-ethyl-6-methylphenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]piperidine-4-carboxamide
L381-0694 Screening compound: N-cyclopropyl-1-[6-({[(2-ethyl-6-methylphenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L381-0694
N-cyclopropyl-1-[6-({[(2-ethyl-6-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

L381-0694

Molecular Formula

C24H31N5O2S (C24 H31 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1C)c1NC(CSc(cc1)nnc1N(CC1)CCC1C(NC1CC1)=O)=O

InChI

InChI=1S/C24H31N5O2S/c1-3-17-6-4-5-16(2)23(17)26-21(30)15-32-22-10-9-20(27-28-22)29-13-11-18(12-14-29)24(31)25-19-7-8-19/h4-6,9-10,18-19H,3,7-8,11-15H2,1-2H3,(H,25,31)(H,26,30)

InChI Key

DQZRGUFWSJOBIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.61

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

3.156

Distribution Coefficient, logD

3.156

Water Solubility, LogSw

-2.94

Polar Surface Area

70.210

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

L381-0694 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with L381-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L381-0694?
Check Price and Availability of L381-0694, 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 L381-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L381-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L381-0694
  • 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 L381-0694 available by request