M678-0310 Screening compound: N-[2-(2-{1-[(2E)-3-(2-chlorophenyl)prop-2-enoyl]piperidin-3-yl}-1,3-thiazol-4-yl)ethyl]-2-methylpropanamide

M678-0310 Screening compound: N-[2-(2-{1-[(2E)-3-(2-chlorophenyl)prop-2-enoyl]piperidin-3-yl}-1,3-thiazol-4-yl)ethyl]-2-methylpropanamide
M678-0310 Screening compound: N-[2-(2-{1-[(2E)-3-(2-chlorophenyl)prop-2-enoyl]piperidin-3-yl}-1,3-thiazol-4-yl)ethyl]-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M678-0310
N-[2-(2-{1-[(2E)-3-(2-chlorophenyl)prop-2-enoyl]piperidin-3-yl}-1,3-thiazol-4-yl)ethyl]-2-methylpropanamide

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

M678-0310

Molecular Formula

C23H28ClN3O2S (C23 H28 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(NCCc1csc(C(CCC2)CN2C(/C=C/c(cccc2)c2Cl)=O)n1)=O

InChI

InChI=1S/C23H28ClN3O2S/c1-16(2)22(29)25-12-11-19-15-30-23(26-19)18-7-5-13-27(14-18)21(28)10-9-17-6-3-4-8-20(17)24/h3-4,6,8-10,15-16,18H,5,7,11-14H2,1-2H3,(H,25,29)/t18-/m0/s1

InChI Key

DLNNBCHFWPMVBU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27551289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.01

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

3.998

Distribution Coefficient, logD

3.998

Water Solubility, LogSw

-4.27

Polar Surface Area

51.048

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

M678-0310 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M678-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M678-0310?
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What is the minimum amount of M678-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M678-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M678-0310
  • 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 M678-0310 available by request