M735-1417 Screening compound: ethyl 3-{[2-(pyrrolidine-1-carbonyl)phenoxy]methyl}-[1,4'-bipiperidine]-1'-carboxylate

M735-1417 Screening compound: ethyl 3-{[2-(pyrrolidine-1-carbonyl)phenoxy]methyl}-[1,4'-bipiperidine]-1'-carboxylate
M735-1417 Screening compound: ethyl 3-{[2-(pyrrolidine-1-carbonyl)phenoxy]methyl}-[1,4'-bipiperidine]-1'-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound M735-1417
ethyl 3-{[2-(pyrrolidine-1-carbonyl)phenoxy]methyl}-[1,4'-bipiperidine]-1'-carboxylate

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

M735-1417

Molecular Formula

C25H37N3O4 (C25 H37 N3 O4)

Compound Name

ethyl 3-{[2-(pyrrolidine-1-carbonyl)phenoxy]methyl}-[1,4'-bipiperidine]-1'-carboxylate

IUPAC name

ethyl 3-{[2-(pyrrolidine-1-carbonyl)phenoxy]methyl}-[14'-bipiperidine]-1'-carboxylate

SMILES

CCOC(N(CC1)CCC1N1CC(COc(cccc2)c2C(N2CCCC2)=O)CCC1)=O

InChI

InChI=1S/C25H37N3O4/c1-2-31-25(30)27-16-11-21(12-17-27)28-15-7-8-20(18-28)19-32-23-10-4-3-9-22(23)24(29)26-13-5-6-14-26/h3-4,9-10,20-21H,2,5-8,11-19H2,1H3/t20-/m0/s1

InChI Key

PEWPVFJXPAPOCY-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD29004449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.658

Distribution Coefficient, logD

0.620

Water Solubility, LogSw

-4.09

Polar Surface Area

50.566

Acid Dissociation Constant (pKa)

25.52

Base Dissociation Constant (pKb)

10.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.00

M735-1417 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Eccentric PPI Library (11937 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with M735-1417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M735-1417?
Check Price and Availability of M735-1417, 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 M735-1417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M735-1417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M735-1417
  • 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 M735-1417 available by request