M678-0478 Screening compound: N-[2-(2-{1-[(2E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-3-yl}-1,3-thiazol-4-yl)ethyl]cyclopropanecarboxamide

M678-0478 Screening compound: N-[2-(2-{1-[(2E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-3-yl}-1,3-thiazol-4-yl)ethyl]cyclopropanecarboxamide
M678-0478 Screening compound: N-[2-(2-{1-[(2E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-3-yl}-1,3-thiazol-4-yl)ethyl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M678-0478
N-[2-(2-{1-[(2E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-3-yl}-1,3-thiazol-4-yl)ethyl]cyclopropanecarboxamide

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

M678-0478

Molecular Formula

C24H29N3O2S (C24 H29 N3 O2 S)

Compound Name

N-[2-(2-{1-[(2E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-3-yl}-1,3-thiazol-4-yl)ethyl]cyclopropanecarboxamide

IUPAC name

N-[2-(2-{1-[(2E)-3-(4-methylphenyl)prop-2-enoyl]piperidin-3-yl}-13-thiazol-4-yl)ethyl]cyclopropanecarboxamide

SMILES

Cc1ccc(/C=C/C(N(CCC2)CC2c2nc(CCNC(C3CC3)=O)cs2)=O)cc1

InChI

InChI=1S/C24H29N3O2S/c1-17-4-6-18(7-5-17)8-11-22(28)27-14-2-3-20(15-27)24-26-21(16-30-24)12-13-25-23(29)19-9-10-19/h4-8,11,16,19-20H,2-3,9-10,12-15H2,1H3,(H,25,29)/t20-/m0/s1

InChI Key

MMXNJVDEQYWLFV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27551362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.58

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

3.769

Distribution Coefficient, logD

3.769

Water Solubility, LogSw

-3.91

Polar Surface Area

51.300

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

M678-0478 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M678-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M678-0478?
Check Price and Availability of M678-0478, 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 M678-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M678-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M678-0478
  • 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 M678-0478 available by request