M716-0052 Screening compound: N~1~-(2,5-dimethoxybenzyl)-3-[6-(1-pyrrolidinyl)-3-pyridyl]benzamide

M716-0052 Screening compound: N~1~-(2,5-dimethoxybenzyl)-3-[6-(1-pyrrolidinyl)-3-pyridyl]benzamide
M716-0052 Screening compound: N~1~-(2,5-dimethoxybenzyl)-3-[6-(1-pyrrolidinyl)-3-pyridyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M716-0052
N~1~-(2,5-dimethoxybenzyl)-3-[6-(1-pyrrolidinyl)-3-pyridyl]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

M716-0052

Molecular Formula

C25H27N3O3 (C25 H27 N3 O3)

Compound Name

N~1~-(2,5-dimethoxybenzyl)-3-[6-(1-pyrrolidinyl)-3-pyridyl]benzamide

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-3-[6-(pyrrolidin-1-yl)pyridin-3-yl]benzamide

SMILES

COc(cc1)cc(CNC(c2cc(-c(cc3)cnc3N3CCCC3)ccc2)=O)c1OC

InChI

InChI=1S/C25H27N3O3/c1-30-22-9-10-23(31-2)21(15-22)17-27-25(29)19-7-5-6-18(14-19)20-8-11-24(26-16-20)28-12-3-4-13-28/h5-11,14-16H,3-4,12-13,17H2,1-2H3,(H,27,29)

InChI Key

FJHJBIXJIIXQJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27552011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

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

4.868

Distribution Coefficient, logD

4.867

Water Solubility, LogSw

-4.57

Polar Surface Area

51.974

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

M716-0052 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M716-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M716-0052?
Check Price and Availability of M716-0052, 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 M716-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M716-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M716-0052
  • 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 M716-0052 available by request