L981-0935 Screening compound: 2-{[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

L981-0935 Screening compound: 2-{[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
L981-0935 Screening compound: 2-{[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L981-0935
2-{[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]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

L981-0935

Molecular Formula

C26H30N4OS (C26 H30 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(CSc2nccnc2N2CCC(Cc3ccccc3)CC2)=O)cc1

InChI

InChI=1S/C26H30N4OS/c1-20-7-9-23(10-8-20)18-29-24(31)19-32-26-25(27-13-14-28-26)30-15-11-22(12-16-30)17-21-5-3-2-4-6-21/h2-10,13-14,22H,11-12,15-19H2,1H3,(H,29,31)

InChI Key

XPTVIUJCSCTLNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15137935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.417

Distribution Coefficient, logD

5.417

Water Solubility, LogSw

-5.40

Polar Surface Area

45.779

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

6.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with L981-0935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L981-0935?
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What is the minimum amount of L981-0935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L981-0935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L981-0935
  • 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 L981-0935 available by request