M742-0529 Screening compound: 4-({1-[4-(dimethylamino)benzoyl]piperidin-3-yl}methoxy)-N-(propan-2-yl)benzamide

M742-0529 Screening compound: 4-({1-[4-(dimethylamino)benzoyl]piperidin-3-yl}methoxy)-N-(propan-2-yl)benzamide
M742-0529 Screening compound: 4-({1-[4-(dimethylamino)benzoyl]piperidin-3-yl}methoxy)-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M742-0529
4-({1-[4-(dimethylamino)benzoyl]piperidin-3-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

M742-0529

Molecular Formula

C25H33N3O3 (C25 H33 N3 O3)

Compound Name

4-({1-[4-(dimethylamino)benzoyl]piperidin-3-yl}methoxy)-N-(propan-2-yl)benzamide

IUPAC name

4-({1-[4-(dimethylamino)benzoyl]piperidin-3-yl}methoxy)-N-(propan-2-yl)benzamide

SMILES

CC(C)NC(c(cc1)ccc1OCC(CCC1)CN1C(c(cc1)ccc1N(C)C)=O)=O

InChI

InChI=1S/C25H33N3O3/c1-18(2)26-24(29)20-9-13-23(14-10-20)31-17-19-6-5-15-28(16-19)25(30)21-7-11-22(12-8-21)27(3)4/h7-14,18-19H,5-6,15-17H2,1-4H3,(H,26,29)/t19-/m0/s1

InChI Key

UAFRNJUDXGYSBJ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27552697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.444

Distribution Coefficient, logD

3.444

Water Solubility, LogSw

-3.84

Polar Surface Area

50.512

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

M742-0529 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with M742-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M742-0529?
Check Price and Availability of M742-0529, 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 M742-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M742-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M742-0529
  • 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 M742-0529 available by request