M742-0594 Screening compound: 4-{[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methoxy}-N-(propan-2-yl)benzamide

M742-0594 Screening compound: 4-{[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methoxy}-N-(propan-2-yl)benzamide
M742-0594 Screening compound: 4-{[1-(2,2-dimethylpropanoyl)piperidin-3-yl]methoxy}-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M742-0594
4-{[1-(2,2-dimethylpropanoyl)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

M742-0594

Molecular Formula

C21H32N2O3 (C21 H32 N2 O3)

Compound Name

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

IUPAC name

4-{[1-(22-dimethylpropanoyl)piperidin-3-yl]methoxy}-N-(propan-2-yl)benzamide

SMILES

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

InChI

InChI=1S/C21H32N2O3/c1-15(2)22-19(24)17-8-10-18(11-9-17)26-14-16-7-6-12-23(13-16)20(25)21(3,4)5/h8-11,15-16H,6-7,12-14H2,1-5H3,(H,22,24)/t16-/m0/s1

InChI Key

PAIRWEYIWJHJPG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27552730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.409

Distribution Coefficient, logD

3.409

Water Solubility, LogSw

-3.65

Polar Surface Area

47.978

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

M742-0594 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M742-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M742-0594?
Check Price and Availability of M742-0594, 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 M742-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M742-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M742-0594
  • 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 M742-0594 available by request