M006-0021 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[3-(piperidin-1-yl)pyrazin-2-yl]oxy}benzamide

M006-0021 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[3-(piperidin-1-yl)pyrazin-2-yl]oxy}benzamide
M006-0021 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[3-(piperidin-1-yl)pyrazin-2-yl]oxy}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M006-0021
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[3-(piperidin-1-yl)pyrazin-2-yl]oxy}benzamide

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

M006-0021

Molecular Formula

C26H30N4O4 (C26 H30 N4 O4)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[3-(piperidin-1-yl)pyrazin-2-yl]oxy}benzamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-4-{[3-(piperidin-1-yl)pyrazin-2-yl]oxy}benzamide

SMILES

COc(ccc(CCNC(c(cc1)ccc1Oc1nccnc1N1CCCCC1)=O)c1)c1OC

InChI

InChI=1S/C26H30N4O4/c1-32-22-11-6-19(18-23(22)33-2)12-13-28-25(31)20-7-9-21(10-8-20)34-26-24(27-14-15-29-26)30-16-4-3-5-17-30/h6-11,14-15,18H,3-5,12-13,16-17H2,1-2H3,(H,28,31)

InChI Key

CQUKKJFJJFCWJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.760

Distribution Coefficient, logD

3.760

Water Solubility, LogSw

-4.03

Polar Surface Area

68.741

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

M006-0021 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M006-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M006-0021?
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What is the minimum amount of M006-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M006-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M006-0021
  • 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 M006-0021 available by request