L381-0711 Screening compound: N-cyclopropyl-1-{6-[({[(3,5-difluorophenyl)methyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide

L381-0711 Screening compound: N-cyclopropyl-1-{6-[({[(3,5-difluorophenyl)methyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide
L381-0711 Screening compound: N-cyclopropyl-1-{6-[({[(3,5-difluorophenyl)methyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L381-0711
N-cyclopropyl-1-{6-[({[(3,5-difluorophenyl)methyl]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

L381-0711

Molecular Formula

C22H25F2N5O2S (C22 H25 F2 N5 O2 S)

Compound Name

N-cyclopropyl-1-{6-[({[(3,5-difluorophenyl)methyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide

IUPAC name

N-cyclopropyl-1-{6-[({[(35-difluorophenyl)methyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide

SMILES

O=C(CSc(cc1)nnc1N(CC1)CCC1C(NC1CC1)=O)NCc1cc(F)cc(F)c1

InChI

InChI=1S/C22H25F2N5O2S/c23-16-9-14(10-17(24)11-16)12-25-20(30)13-32-21-4-3-19(27-28-21)29-7-5-15(6-8-29)22(31)26-18-1-2-18/h3-4,9-11,15,18H,1-2,5-8,12-13H2,(H,25,30)(H,26,31)

InChI Key

PCHROJHLCIIJTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

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

2.702

Distribution Coefficient, logD

2.702

Water Solubility, LogSw

-3.03

Polar Surface Area

72.928

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

L381-0711 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Immune system
  • animal
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L381-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L381-0711?
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What is the minimum amount of L381-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L381-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L381-0711
  • 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 L381-0711 available by request