M597-0127 Screening compound: N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-[2-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide

M597-0127 Screening compound: N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-[2-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide
M597-0127 Screening compound: N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-[2-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M597-0127
N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-[2-(pyrrolidin-1-yl)pyrimidin-4-yl]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

M597-0127

Molecular Formula

C24H33N5O (C24 H33 N5 O)

Compound Name

N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-[2-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide

IUPAC name

N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-[2-(pyrrolidin-1-yl)pyrimidin-4-yl]benzamide

SMILES

CCC1N(CCNC(c(cc2)ccc2-c2nc(N3CCCC3)ncc2)=O)CCCC1

InChI

InChI=1S/C24H33N5O/c1-2-21-7-3-4-15-28(21)18-14-25-23(30)20-10-8-19(9-11-20)22-12-13-26-24(27-22)29-16-5-6-17-29/h8-13,21H,2-7,14-18H2,1H3,(H,25,30)/t21-/m0/s1

InChI Key

FCOHRAVIGRMENF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27548706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.977

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-3.92

Polar Surface Area

49.765

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

8.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.20

M597-0127 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

SmartTM Library (51161 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with M597-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M597-0127?
Check Price and Availability of M597-0127, 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 M597-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M597-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M597-0127
  • 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 M597-0127 available by request