L981-0872 Screening compound: 2-{[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide

L981-0872 Screening compound: 2-{[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
L981-0872 Screening compound: 2-{[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L981-0872
2-{[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}-N-(2-methoxyphenyl)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

L981-0872

Molecular Formula

C25H28N4O2S (C25 H28 N4 O2 S)

Compound Name

2-{[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide

IUPAC name

2-{[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide

SMILES

COc(cccc1)c1NC(CSc1nccnc1N1CCC(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C25H28N4O2S/c1-31-22-10-6-5-9-21(22)28-23(30)18-32-25-24(26-13-14-27-25)29-15-11-20(12-16-29)17-19-7-3-2-4-8-19/h2-10,13-14,20H,11-12,15-18H2,1H3,(H,28,30)

InChI Key

LTPRJZBKYXFZIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15137918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.066

Distribution Coefficient, logD

5.066

Water Solubility, LogSw

-4.72

Polar Surface Area

51.390

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with L981-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L981-0872?
Check Price and Availability of L981-0872, 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 L981-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L981-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L981-0872
  • 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 L981-0872 available by request