M678-0458 Screening compound: N-(2-{2-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl}ethyl)cyclopropanecarboxamide

M678-0458 Screening compound: N-(2-{2-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl}ethyl)cyclopropanecarboxamide
M678-0458 Screening compound: N-(2-{2-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl}ethyl)cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M678-0458
N-(2-{2-[1-(oxolane-2-carbonyl)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

M678-0458

Molecular Formula

C19H27N3O3S (C19 H27 N3 O3 S)

Compound Name

N-(2-{2-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl}ethyl)cyclopropanecarboxamide

IUPAC name

N-(2-{2-[1-(oxolane-2-carbonyl)piperidin-3-yl]-13-thiazol-4-yl}ethyl)cyclopropanecarboxamide

SMILES

O=C(C1CC1)NCCc1csc(C(CCC2)CN2C(C2OCCC2)=O)n1

InChI

InChI=1S/C19H27N3O3S/c23-17(13-5-6-13)20-8-7-15-12-26-18(21-15)14-3-1-9-22(11-14)19(24)16-4-2-10-25-16/h12-14,16H,1-11H2,(H,20,23)

InChI Key

WRLQKPWTPNCZBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27643419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.412

Distribution Coefficient, logD

1.412

Water Solubility, LogSw

-1.94

Polar Surface Area

60.239

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

73.70

M678-0458 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

Soluble Diversity Library (15920 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M678-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M678-0458?
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What is the minimum amount of M678-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M678-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M678-0458
  • 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 M678-0458 available by request