L381-0682 Screening compound: N-cyclopropyl-1-{6-[({[4-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide

L381-0682 Screening compound: N-cyclopropyl-1-{6-[({[4-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide
L381-0682 Screening compound: N-cyclopropyl-1-{6-[({[4-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]pyridazin-3-yl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L381-0682
N-cyclopropyl-1-{6-[({[4-(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

L381-0682

Molecular Formula

C22H24F3N5O2S (C22 H24 F3 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc(cc1)nnc1N(CC1)CCC1C(NC1CC1)=O)Nc1ccc(C(F)(F)F)cc1

InChI

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

InChI Key

TXECWELYOIEQQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248718

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

3.360

Distribution Coefficient, logD

3.360

Water Solubility, LogSw

-3.49

Polar Surface Area

71.606

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

L381-0682 in Drug Discovery

Included in Screening Libraries

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 L381-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L381-0682?
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What is the minimum amount of L381-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L381-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L381-0682
  • 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 L381-0682 available by request