M677-0161 Screening compound: N-(2-{2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl}ethyl)acetamide

M677-0161 Screening compound: N-(2-{2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl}ethyl)acetamide
M677-0161 Screening compound: N-(2-{2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl}ethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M677-0161
N-(2-{2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl}ethyl)acetamide

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

M677-0161

Molecular Formula

C20H25N3O2S (C20 H25 N3 O2 S)

Compound Name

N-(2-{2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl}ethyl)acetamide

IUPAC name

N-(2-{2-[1-(3-methylbenzoyl)piperidin-4-yl]-13-thiazol-4-yl}ethyl)acetamide

SMILES

CC(NCCc1csc(C(CC2)CCN2C(c2cc(C)ccc2)=O)n1)=O

InChI

InChI=1S/C20H25N3O2S/c1-14-4-3-5-17(12-14)20(25)23-10-7-16(8-11-23)19-22-18(13-26-19)6-9-21-15(2)24/h3-5,12-13,16H,6-11H2,1-2H3,(H,21,24)

InChI Key

BPLRVCBZNFOIKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27550981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.921

Distribution Coefficient, logD

1.921

Water Solubility, LogSw

-2.55

Polar Surface Area

51.541

Acid Dissociation Constant (pKa)

15.17

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

M677-0161 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with M677-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M677-0161?
Check Price and Availability of M677-0161, 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 M677-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M677-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M677-0161
  • 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 M677-0161 available by request