L381-0631 Screening compound: N-cyclopropyl-1-{6-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide

L381-0631 Screening compound: N-cyclopropyl-1-{6-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide
L381-0631 Screening compound: N-cyclopropyl-1-{6-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L381-0631
N-cyclopropyl-1-{6-[({[3-(trifluoromethyl)phenyl]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

L381-0631

Molecular Formula

C22H24F3N5O2S (C22 H24 F3 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc(cc1)nnc1N(CC1)CCC1C(NC1CC1)=O)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C22H24F3N5O2S/c23-22(24,25)15-2-1-3-17(12-15)26-19(31)13-33-20-7-6-18(28-29-20)30-10-8-14(9-11-30)21(32)27-16-4-5-16/h1-3,6-7,12,14,16H,4-5,8-11,13H2,(H,26,31)(H,27,32)

InChI Key

XYLJFUOAGOOQNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.53

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

3.531

Distribution Coefficient, logD

3.530

Water Solubility, LogSw

-3.71

Polar Surface Area

71.606

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

L381-0631 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with L381-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L381-0631?
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What is the minimum amount of L381-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L381-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L381-0631
  • 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 L381-0631 available by request