L381-0042 Screening compound: N-(3-methoxyphenyl)-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide

L381-0042 Screening compound: N-(3-methoxyphenyl)-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide
L381-0042 Screening compound: N-(3-methoxyphenyl)-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L381-0042
N-(3-methoxyphenyl)-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

L381-0042

Molecular Formula

C24H31N5O3S (C24 H31 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NC(CSc(cc2)nnc2N(CC2)CCC2C(N2CCCCC2)=O)=O)c1

InChI

InChI=1S/C24H31N5O3S/c1-32-20-7-5-6-19(16-20)25-22(30)17-33-23-9-8-21(26-27-23)28-14-10-18(11-15-28)24(31)29-12-3-2-4-13-29/h5-9,16,18H,2-4,10-15,17H2,1H3,(H,25,30)

InChI Key

QTYIUMWXOCHOQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.354

Distribution Coefficient, logD

3.354

Water Solubility, LogSw

-3.53

Polar Surface Area

71.328

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

L381-0042 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 L381-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L381-0042?
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What is the minimum amount of L381-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L381-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L381-0042
  • 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 L381-0042 available by request