L383-0663 Screening compound: N-cyclopentyl-2-[(6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyridazin-3-yl)sulfanyl]acetamide

L383-0663 Screening compound: N-cyclopentyl-2-[(6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyridazin-3-yl)sulfanyl]acetamide
L383-0663 Screening compound: N-cyclopentyl-2-[(6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyridazin-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L383-0663
N-cyclopentyl-2-[(6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyridazin-3-yl)sulfanyl]acetamide

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

L383-0663

Molecular Formula

C22H26F3N5OS (C22 H26 F3 N5 OS)

Compound Name

N-cyclopentyl-2-[(6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyridazin-3-yl)sulfanyl]acetamide

IUPAC name

N-cyclopentyl-2-[(6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyridazin-3-yl)sulfanyl]acetamide

SMILES

O=C(CSc(cc1)nnc1N(CC1)CCN1c1cc(C(F)(F)F)ccc1)NC1CCCC1

InChI

InChI=1S/C22H26F3N5OS/c23-22(24,25)16-4-3-7-18(14-16)29-10-12-30(13-11-29)19-8-9-21(28-27-19)32-15-20(31)26-17-5-1-2-6-17/h3-4,7-9,14,17H,1-2,5-6,10-13,15H2,(H,26,31)

InChI Key

XDFYBUXRPYGCQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27643812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.247

Distribution Coefficient, logD

4.247

Water Solubility, LogSw

-4.27

Polar Surface Area

51.810

Acid Dissociation Constant (pKa)

16.34

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

L383-0663 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L383-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L383-0663?
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What is the minimum amount of L383-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L383-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L383-0663
  • 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 L383-0663 available by request