L381-0698 Screening compound: N-cyclopropyl-1-[6-({[(2,3-dimethylphenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]piperidine-4-carboxamide

L381-0698 Screening compound: N-cyclopropyl-1-[6-({[(2,3-dimethylphenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]piperidine-4-carboxamide
L381-0698 Screening compound: N-cyclopropyl-1-[6-({[(2,3-dimethylphenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L381-0698
N-cyclopropyl-1-[6-({[(2,3-dimethylphenyl)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

L381-0698

Molecular Formula

C23H29N5O2S (C23 H29 N5 O2 S)

Compound Name

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

IUPAC name

N-cyclopropyl-1-[6-({[(23-dimethylphenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]piperidine-4-carboxamide

SMILES

Cc1cccc(NC(CSc(cc2)nnc2N(CC2)CCC2C(NC2CC2)=O)=O)c1C

InChI

InChI=1S/C23H29N5O2S/c1-15-4-3-5-19(16(15)2)25-21(29)14-31-22-9-8-20(26-27-22)28-12-10-17(11-13-28)23(30)24-18-6-7-18/h3-5,8-9,17-18H,6-7,10-14H2,1-2H3,(H,24,30)(H,25,29)

InChI Key

PFCNUABMXJWNDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.58

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

3.118

Distribution Coefficient, logD

3.118

Water Solubility, LogSw

-3.07

Polar Surface Area

70.908

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

L381-0698 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 L381-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L381-0698?
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What is the minimum amount of L381-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L381-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L381-0698
  • 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 L381-0698 available by request