M676-0663 Screening compound: N-{[2-(1-cyclohexanecarbonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl}cyclobutanecarboxamide

M676-0663 Screening compound: N-{[2-(1-cyclohexanecarbonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl}cyclobutanecarboxamide
M676-0663 Screening compound: N-{[2-(1-cyclohexanecarbonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl}cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M676-0663
N-{[2-(1-cyclohexanecarbonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl}cyclobutanecarboxamide

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

M676-0663

Molecular Formula

C21H31N3O2S (C21 H31 N3 O2 S)

Compound Name

N-{[2-(1-cyclohexanecarbonylpiperidin-3-yl)-1,3-thiazol-4-yl]methyl}cyclobutanecarboxamide

IUPAC name

N-{[2-(1-cyclohexanecarbonylpiperidin-3-yl)-13-thiazol-4-yl]methyl}cyclobutanecarboxamide

SMILES

O=C(C1CCC1)NCc1csc(C(CCC2)CN2C(C2CCCCC2)=O)n1

InChI

InChI=1S/C21H31N3O2S/c25-19(15-8-4-9-15)22-12-18-14-27-20(23-18)17-10-5-11-24(13-17)21(26)16-6-2-1-3-7-16/h14-17H,1-13H2,(H,22,25)/t17-/m0/s1

InChI Key

KKEYJSQLFRUPRQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27550845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.56

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

2.763

Distribution Coefficient, logD

2.763

Water Solubility, LogSw

-3.01

Polar Surface Area

52.178

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.19

M676-0663 in Drug Discovery

Included in Screening Libraries

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M676-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M676-0663?
Check Price and Availability of M676-0663, 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 M676-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M676-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M676-0663
  • 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 M676-0663 available by request