CM4053-5276 Screening compound: N-methyl-2-{1-[(pyridin-4-yl)methyl]piperidin-3-yl}-1H-pyrrole-3-carboxamide

CM4053-5276 Screening compound: N-methyl-2-{1-[(pyridin-4-yl)methyl]piperidin-3-yl}-1H-pyrrole-3-carboxamide
CM4053-5276 Screening compound: N-methyl-2-{1-[(pyridin-4-yl)methyl]piperidin-3-yl}-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4053-5276
N-methyl-2-{1-[(pyridin-4-yl)methyl]piperidin-3-yl}-1H-pyrrole-3-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

CM4053-5276

Molecular Formula

C17H22N4O (C17 H22 N4 O)

Compound Name

N-methyl-2-{1-[(pyridin-4-yl)methyl]piperidin-3-yl}-1H-pyrrole-3-carboxamide

IUPAC name

N-methyl-2-{1-[(pyridin-4-yl)methyl]piperidin-3-yl}-1H-pyrrole-3-carboxamide

SMILES

CNC(c1c(C2CN(Cc3ccncc3)CCC2)[nH]cc1)=O

InChI

InChI=1S/C17H22N4O/c1-18-17(22)15-6-9-20-16(15)14-3-2-10-21(12-14)11-13-4-7-19-8-5-13/h4-9,14,20H,2-3,10-12H2,1H3,(H,18,22)/t14-/m0/s1

InChI Key

PZUHZRQSURFOML-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD30458754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.760

Distribution Coefficient, logD

0.736

Water Solubility, LogSw

-1.70

Polar Surface Area

48.733

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

CM4053-5276 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with CM4053-5276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4053-5276?
Check Price and Availability of CM4053-5276, 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 CM4053-5276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4053-5276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4053-5276
  • 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 CM4053-5276 available by request