M560-0176 Screening compound: N-[2-(azepan-1-yl)ethyl]-1-[2-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

M560-0176 Screening compound: N-[2-(azepan-1-yl)ethyl]-1-[2-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide
M560-0176 Screening compound: N-[2-(azepan-1-yl)ethyl]-1-[2-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M560-0176
N-[2-(azepan-1-yl)ethyl]-1-[2-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

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

M560-0176

Molecular Formula

C22H36N6O (C22 H36 N6 O)

Compound Name

N-[2-(azepan-1-yl)ethyl]-1-[2-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

IUPAC name

N-[2-(azepan-1-yl)ethyl]-1-[2-(pyrrolidin-1-yl)pyrimidin-5-yl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1cnc(N2CCCC2)nc1)NCCN1CCCCCC1

InChI

InChI=1S/C22H36N6O/c29-21(23-9-16-26-10-3-1-2-4-11-26)19-7-14-27(15-8-19)20-17-24-22(25-18-20)28-12-5-6-13-28/h17-19H,1-16H2,(H,23,29)

InChI Key

VLXVCFWQQQLUIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.166

Distribution Coefficient, logD

0.384

Water Solubility, LogSw

-2.36

Polar Surface Area

54.619

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

77.30

M560-0176 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M560-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M560-0176?
Check Price and Availability of M560-0176, 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 M560-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M560-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M560-0176
  • 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 M560-0176 available by request