M745-0515 Screening compound: N-cyclopropyl-4-({1-[(2E)-3-phenylprop-2-enoyl]piperidin-4-yl}methoxy)benzamide

M745-0515 Screening compound: N-cyclopropyl-4-({1-[(2E)-3-phenylprop-2-enoyl]piperidin-4-yl}methoxy)benzamide
M745-0515 Screening compound: N-cyclopropyl-4-({1-[(2E)-3-phenylprop-2-enoyl]piperidin-4-yl}methoxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M745-0515
N-cyclopropyl-4-({1-[(2E)-3-phenylprop-2-enoyl]piperidin-4-yl}methoxy)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

M745-0515

Molecular Formula

C25H28N2O3 (C25 H28 N2 O3)

Compound Name

N-cyclopropyl-4-({1-[(2E)-3-phenylprop-2-enoyl]piperidin-4-yl}methoxy)benzamide

IUPAC name

N-cyclopropyl-4-({1-[(2E)-3-phenylprop-2-enoyl]piperidin-4-yl}methoxy)benzamide

SMILES

O=C(/C=C/c1ccccc1)N1CCC(COc(cc2)ccc2C(NC2CC2)=O)CC1

InChI

InChI=1S/C25H28N2O3/c28-24(13-6-19-4-2-1-3-5-19)27-16-14-20(15-17-27)18-30-23-11-7-21(8-12-23)25(29)26-22-9-10-22/h1-8,11-13,20,22H,9-10,14-18H2,(H,26,29)

InChI Key

UYCLKAZZVUKHPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27553116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

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

3.880

Distribution Coefficient, logD

3.880

Water Solubility, LogSw

-4.44

Polar Surface Area

48.057

Acid Dissociation Constant (pKa)

12.64

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

M745-0515 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with M745-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M745-0515?
Check Price and Availability of M745-0515, 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 M745-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M745-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M745-0515
  • 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 M745-0515 available by request