L381-0020 Screening compound: N-(2-methoxy-5-methylphenyl)-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide

L381-0020 Screening compound: N-(2-methoxy-5-methylphenyl)-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide
L381-0020 Screening compound: N-(2-methoxy-5-methylphenyl)-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L381-0020
N-(2-methoxy-5-methylphenyl)-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

L381-0020

Molecular Formula

C25H33N5O3S (C25 H33 N5 O3 S)

Compound Name

N-(2-methoxy-5-methylphenyl)-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide

IUPAC name

N-(2-methoxy-5-methylphenyl)-2-({6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl}sulfanyl)acetamide

SMILES

Cc(cc1)cc(NC(CSc(cc2)nnc2N(CC2)CCC2C(N2CCCCC2)=O)=O)c1OC

InChI

InChI=1S/C25H33N5O3S/c1-18-6-7-21(33-2)20(16-18)26-23(31)17-34-24-9-8-22(27-28-24)29-14-10-19(11-15-29)25(32)30-12-4-3-5-13-30/h6-9,16,19H,3-5,10-15,17H2,1-2H3,(H,26,31)

InChI Key

NMXUBTRSUXXKHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27248636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.63

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

3.125

Distribution Coefficient, logD

3.125

Water Solubility, LogSw

-3.23

Polar Surface Area

70.717

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

L381-0020 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 L381-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L381-0020?
Check Price and Availability of L381-0020, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L381-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L381-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L381-0020
  • 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 L381-0020 available by request