M459-3589 Screening compound: 2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide

M459-3589 Screening compound: 2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
M459-3589 Screening compound: 2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M459-3589
2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)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

M459-3589

Molecular Formula

C26H30N4O3S (C26 H30 N4 O3 S)

Compound Name

2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide

IUPAC name

2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}-N-(35-dimethoxyphenyl)acetamide

SMILES

COc1cc(NC(CSc2nc(N3CCC(Cc4ccccc4)CC3)ccn2)=O)cc(OC)c1

InChI

InChI=1S/C26H30N4O3S/c1-32-22-15-21(16-23(17-22)33-2)28-25(31)18-34-26-27-11-8-24(29-26)30-12-9-20(10-13-30)14-19-6-4-3-5-7-19/h3-8,11,15-17,20H,9-10,12-14,18H2,1-2H3,(H,28,31)

InChI Key

GOCOPDCKDAFKCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.929

Distribution Coefficient, logD

5.929

Water Solubility, LogSw

-5.57

Polar Surface Area

58.573

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with M459-3589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M459-3589?
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What is the minimum amount of M459-3589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M459-3589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M459-3589
  • 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 M459-3589 available by request