M677-0727 Screening compound: N~1~-(3-methylphenyl)-4-{4-[2-(propionylamino)ethyl]-1,3-thiazol-2-yl}tetrahydro-1(2H)-pyridinecarboxamide

M677-0727 Screening compound: N~1~-(3-methylphenyl)-4-{4-[2-(propionylamino)ethyl]-1,3-thiazol-2-yl}tetrahydro-1(2H)-pyridinecarboxamide
M677-0727 Screening compound: N~1~-(3-methylphenyl)-4-{4-[2-(propionylamino)ethyl]-1,3-thiazol-2-yl}tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M677-0727
N~1~-(3-methylphenyl)-4-{4-[2-(propionylamino)ethyl]-1,3-thiazol-2-yl}tetrahydro-1(2H)-pyridinecarboxamide

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

M677-0727

Molecular Formula

C21H28N4O2S (C21 H28 N4 O2 S)

Compound Name

N~1~-(3-methylphenyl)-4-{4-[2-(propionylamino)ethyl]-1,3-thiazol-2-yl}tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

N-(3-methylphenyl)-4-[4-(2-propanamidoethyl)-13-thiazol-2-yl]piperidine-1-carboxamide

SMILES

CCC(NCCc1csc(C(CC2)CCN2C(Nc2cc(C)ccc2)=O)n1)=O

InChI

InChI=1S/C21H28N4O2S/c1-3-19(26)22-10-7-18-14-28-20(23-18)16-8-11-25(12-9-16)21(27)24-17-6-4-5-15(2)13-17/h4-6,13-14,16H,3,7-12H2,1-2H3,(H,22,26)(H,24,27)

InChI Key

XGNISMHSMCDCRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27551125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.911

Distribution Coefficient, logD

2.911

Water Solubility, LogSw

-3.15

Polar Surface Area

60.250

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.62

M677-0727 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M677-0727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M677-0727?
Check Price and Availability of M677-0727, 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 M677-0727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M677-0727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M677-0727
  • 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 M677-0727 available by request