M739-0237 Screening compound: cyclobutyl(2-{[4-(1-pyrrolidinylcarbonyl)phenoxy]methyl}-1-pyrrolidinyl)methanone

M739-0237 Screening compound: cyclobutyl(2-{[4-(1-pyrrolidinylcarbonyl)phenoxy]methyl}-1-pyrrolidinyl)methanone
M739-0237 Screening compound: cyclobutyl(2-{[4-(1-pyrrolidinylcarbonyl)phenoxy]methyl}-1-pyrrolidinyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M739-0237
cyclobutyl(2-{[4-(1-pyrrolidinylcarbonyl)phenoxy]methyl}-1-pyrrolidinyl)methanone

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

M739-0237

Molecular Formula

C21H28N2O3 (C21 H28 N2 O3)

Compound Name

cyclobutyl(2-{[4-(1-pyrrolidinylcarbonyl)phenoxy]methyl}-1-pyrrolidinyl)methanone

IUPAC name

1-cyclobutanecarbonyl-2-{[4-(pyrrolidine-1-carbonyl)phenoxy]methyl}pyrrolidine

SMILES

O=C(C1CCC1)N1C(COc(cc2)ccc2C(N2CCCC2)=O)CCC1

InChI

InChI=1S/C21H28N2O3/c24-20(22-12-1-2-13-22)17-8-10-19(11-9-17)26-15-18-7-4-14-23(18)21(25)16-5-3-6-16/h8-11,16,18H,1-7,12-15H2/t18-/m1/s1

InChI Key

CIHCJXAGEFGOFG-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27552303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.190

Distribution Coefficient, logD

2.190

Water Solubility, LogSw

-2.38

Polar Surface Area

41.664

Acid Dissociation Constant (pKa)

24.20

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

M739-0237 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M739-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M739-0237?
Check Price and Availability of M739-0237, 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 M739-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M739-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M739-0237
  • 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 M739-0237 available by request