L981-0890 Screening compound: methyl 2-(2-{[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate

L981-0890 Screening compound: methyl 2-(2-{[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate
L981-0890 Screening compound: methyl 2-(2-{[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L981-0890
methyl 2-(2-{[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate

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

L981-0890

Molecular Formula

C26H28N4O3S (C26 H28 N4 O3 S)

Compound Name

methyl 2-(2-{[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate

IUPAC name

methyl 2-(2-{[3-(4-benzylpiperidin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate

SMILES

COC(c(cccc1)c1NC(CSc1nccnc1N1CCC(Cc2ccccc2)CC1)=O)=O

InChI

InChI=1S/C26H28N4O3S/c1-33-26(32)21-9-5-6-10-22(21)29-23(31)18-34-25-24(27-13-14-28-25)30-15-11-20(12-16-30)17-19-7-3-2-4-8-19/h2-10,13-14,20H,11-12,15-18H2,1H3,(H,29,31)

InChI Key

MMMGGBLVZRFIIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15137929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.037

Distribution Coefficient, logD

5.021

Water Solubility, LogSw

-4.73

Polar Surface Area

64.933

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

6.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with L981-0890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L981-0890?
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What is the minimum amount of L981-0890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L981-0890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L981-0890
  • 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 L981-0890 available by request