M739-0201 Screening compound: N,N-dimethyl-4-(2-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}pyrrolidine-1-carbonyl)aniline

M739-0201 Screening compound: N,N-dimethyl-4-(2-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}pyrrolidine-1-carbonyl)aniline
M739-0201 Screening compound: N,N-dimethyl-4-(2-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}pyrrolidine-1-carbonyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound M739-0201
N,N-dimethyl-4-(2-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}pyrrolidine-1-carbonyl)aniline

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

M739-0201

Molecular Formula

C25H31N3O3 (C25 H31 N3 O3)

Compound Name

N,N-dimethyl-4-(2-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}pyrrolidine-1-carbonyl)aniline

IUPAC name

NN-dimethyl-4-(2-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}pyrrolidine-1-carbonyl)aniline

SMILES

CN(C)c(cc1)ccc1C(N1C(COc(cc2)ccc2C(N2CCCC2)=O)CCC1)=O

InChI

InChI=1S/C25H31N3O3/c1-26(2)21-11-7-20(8-12-21)25(30)28-17-5-6-22(28)18-31-23-13-9-19(10-14-23)24(29)27-15-3-4-16-27/h7-14,22H,3-6,15-18H2,1-2H3/t22-/m1/s1

InChI Key

CDDBVAIBEBABRJ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD27552293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.190

Distribution Coefficient, logD

3.190

Water Solubility, LogSw

-3.20

Polar Surface Area

43.946

Acid Dissociation Constant (pKa)

24.83

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

M739-0201 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M739-0201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M739-0201?
Check Price and Availability of M739-0201, 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 M739-0201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M739-0201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M739-0201
  • 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 M739-0201 available by request