M677-0080 Screening compound: N-(2-{2-[1-(4-cyanobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl}ethyl)acetamide

M677-0080 Screening compound: N-(2-{2-[1-(4-cyanobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl}ethyl)acetamide
M677-0080 Screening compound: N-(2-{2-[1-(4-cyanobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl}ethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M677-0080
N-(2-{2-[1-(4-cyanobenzoyl)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

M677-0080

Molecular Formula

C20H22N4O2S (C20 H22 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(NCCc1csc(C(CC2)CCN2C(c(cc2)ccc2C#N)=O)n1)=O

InChI

InChI=1S/C20H22N4O2S/c1-14(25)22-9-6-18-13-27-19(23-18)16-7-10-24(11-8-16)20(26)17-4-2-15(12-21)3-5-17/h2-5,13,16H,6-11H2,1H3,(H,22,25)

InChI Key

CARQBGIXWFTEPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27550960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.49

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

1.288

Distribution Coefficient, logD

1.288

Water Solubility, LogSw

-2.04

Polar Surface Area

68.598

Acid Dissociation Constant (pKa)

15.17

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

M677-0080 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
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 M677-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M677-0080?
Check Price and Availability of M677-0080, 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 M677-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M677-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M677-0080
  • 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 M677-0080 available by request