M626-0052 Screening compound: 2-(4-chlorophenyl)-N-{[6-(pyrrolidin-1-yl)pyridin-3-yl]methyl}acetamide

M626-0052 Screening compound: 2-(4-chlorophenyl)-N-{[6-(pyrrolidin-1-yl)pyridin-3-yl]methyl}acetamide
M626-0052 Screening compound: 2-(4-chlorophenyl)-N-{[6-(pyrrolidin-1-yl)pyridin-3-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M626-0052
2-(4-chlorophenyl)-N-{[6-(pyrrolidin-1-yl)pyridin-3-yl]methyl}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

M626-0052

Molecular Formula

C18H20ClN3O (C18 H20 ClN3 O)

Compound Name

2-(4-chlorophenyl)-N-{[6-(pyrrolidin-1-yl)pyridin-3-yl]methyl}acetamide

IUPAC name

2-(4-chlorophenyl)-N-{[6-(pyrrolidin-1-yl)pyridin-3-yl]methyl}acetamide

SMILES

O=C(Cc(cc1)ccc1Cl)NCc(cc1)cnc1N1CCCC1

InChI

InChI=1S/C18H20ClN3O/c19-16-6-3-14(4-7-16)11-18(23)21-13-15-5-8-17(20-12-15)22-9-1-2-10-22/h3-8,12H,1-2,9-11,13H2,(H,21,23)

InChI Key

YEUXBCZOSXBDSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27549487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.278

Distribution Coefficient, logD

3.273

Water Solubility, LogSw

-3.49

Polar Surface Area

36.858

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M626-0052 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with M626-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M626-0052?
Check Price and Availability of M626-0052, 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 M626-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M626-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M626-0052
  • 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 M626-0052 available by request