M739-0738 Screening compound: 4-({1-[2-(2-methylphenyl)acetyl]pyrrolidin-2-yl}methoxy)-N-(propan-2-yl)benzamide

M739-0738 Screening compound: 4-({1-[2-(2-methylphenyl)acetyl]pyrrolidin-2-yl}methoxy)-N-(propan-2-yl)benzamide
M739-0738 Screening compound: 4-({1-[2-(2-methylphenyl)acetyl]pyrrolidin-2-yl}methoxy)-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M739-0738
4-({1-[2-(2-methylphenyl)acetyl]pyrrolidin-2-yl}methoxy)-N-(propan-2-yl)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

M739-0738

Molecular Formula

C24H30N2O3 (C24 H30 N2 O3)

Compound Name

4-({1-[2-(2-methylphenyl)acetyl]pyrrolidin-2-yl}methoxy)-N-(propan-2-yl)benzamide

IUPAC name

4-({1-[2-(2-methylphenyl)acetyl]pyrrolidin-2-yl}methoxy)-N-(propan-2-yl)benzamide

SMILES

CC(C)NC(c(cc1)ccc1OCC(CCC1)N1C(Cc1c(C)cccc1)=O)=O

InChI

InChI=1S/C24H30N2O3/c1-17(2)25-24(28)19-10-12-22(13-11-19)29-16-21-9-6-14-26(21)23(27)15-20-8-5-4-7-18(20)3/h4-5,7-8,10-13,17,21H,6,9,14-16H2,1-3H3,(H,25,28)/t21-/m1/s1

InChI Key

DXSABCHJPMKJKF-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD27552458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.966

Distribution Coefficient, logD

3.966

Water Solubility, LogSw

-4.02

Polar Surface Area

47.258

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

M739-0738 in Drug Discovery

Included in Screening Libraries

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

Glucocorticoid receptors Library (4806 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M739-0738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M739-0738?
Check Price and Availability of M739-0738, 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 M739-0738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M739-0738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M739-0738
  • 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 M739-0738 available by request