L381-0902 Screening compound: 1-[6-({[(3-fluoro-4-methylphenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-(propan-2-yl)piperidine-4-carboxamide

L381-0902 Screening compound: 1-[6-({[(3-fluoro-4-methylphenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-(propan-2-yl)piperidine-4-carboxamide
L381-0902 Screening compound: 1-[6-({[(3-fluoro-4-methylphenyl)carbamoyl]methyl}sulfanyl)pyridazin-3-yl]-N-(propan-2-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L381-0902
1-[6-({[(3-fluoro-4-methylphenyl)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

L381-0902

Molecular Formula

C22H28FN5O2S (C22 H28 FN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(C(CC1)CCN1c(cc1)nnc1SCC(Nc1cc(F)c(C)cc1)=O)=O

InChI

InChI=1S/C22H28FN5O2S/c1-14(2)24-22(30)16-8-10-28(11-9-16)19-6-7-21(27-26-19)31-13-20(29)25-17-5-4-15(3)18(23)12-17/h4-7,12,14,16H,8-11,13H2,1-3H3,(H,24,30)(H,25,29)

InChI Key

OOYYLVBOSFRQHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

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

3.379

Distribution Coefficient, logD

3.378

Water Solubility, LogSw

-3.54

Polar Surface Area

70.795

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

L381-0902 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 L381-0902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L381-0902?
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What is the minimum amount of L381-0902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L381-0902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L381-0902
  • 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 L381-0902 available by request