L381-0109 Screening compound: N-(4-chloro-2-fluorophenyl)-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide

L381-0109 Screening compound: N-(4-chloro-2-fluorophenyl)-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide
L381-0109 Screening compound: N-(4-chloro-2-fluorophenyl)-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L381-0109
N-(4-chloro-2-fluorophenyl)-2-({6-[4-(piperidine-1-carbonyl)piperidin-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

L381-0109

Molecular Formula

C23H27ClFN5O2S (C23 H27 ClFN5 O2 S)

Compound Name

N-(4-chloro-2-fluorophenyl)-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide

IUPAC name

N-(4-chloro-2-fluorophenyl)-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide

SMILES

O=C(CSc(cc1)nnc1N(CC1)CCC1C(N1CCCCC1)=O)Nc(ccc(Cl)c1)c1F

InChI

InChI=1S/C23H27ClFN5O2S/c24-17-4-5-19(18(25)14-17)26-21(31)15-33-22-7-6-20(27-28-22)29-12-8-16(9-13-29)23(32)30-10-2-1-3-11-30/h4-7,14,16H,1-3,8-13,15H2,(H,26,31)

InChI Key

LZVUIPBSHWVOFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.910

Distribution Coefficient, logD

3.900

Water Solubility, LogSw

-4.36

Polar Surface Area

63.087

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

L381-0109 in Drug Discovery

Included in Screening Libraries

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

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 L381-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L381-0109?
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What is the minimum amount of L381-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L381-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L381-0109
  • 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 L381-0109 available by request