S690-0878 Screening compound: 5-(4-{[4-(morpholine-4-carbonyl)phenyl]methyl}piperidine-1-carbonyl)-1H-1,3-benzodiazole

S690-0878 Screening compound: 5-(4-{[4-(morpholine-4-carbonyl)phenyl]methyl}piperidine-1-carbonyl)-1H-1,3-benzodiazole
S690-0878 Screening compound: 5-(4-{[4-(morpholine-4-carbonyl)phenyl]methyl}piperidine-1-carbonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S690-0878
5-(4-{[4-(morpholine-4-carbonyl)phenyl]methyl}piperidine-1-carbonyl)-1H-1,3-benzodiazole

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

S690-0878

Molecular Formula

C25H28N4O3 (C25 H28 N4 O3)

Compound Name

5-(4-{[4-(morpholine-4-carbonyl)phenyl]methyl}piperidine-1-carbonyl)-1H-1,3-benzodiazole

IUPAC name

5-(4-{[4-(morpholine-4-carbonyl)phenyl]methyl}piperidine-1-carbonyl)-1H-13-benzodiazole

SMILES

O=C(c1ccc(CC(CC2)CCN2C(c(cc2)cc3c2[nH]cn3)=O)cc1)N1CCOCC1

InChI

InChI=1S/C25H28N4O3/c30-24(29-11-13-32-14-12-29)20-3-1-18(2-4-20)15-19-7-9-28(10-8-19)25(31)21-5-6-22-23(16-21)27-17-26-22/h1-6,16-17,19H,7-15H2,(H,26,27)

InChI Key

TWDFDVJOHMGQAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31976143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.002

Distribution Coefficient, logD

1.994

Water Solubility, LogSw

-2.60

Polar Surface Area

61.702

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

S690-0878 in Drug Discovery

Included in Screening Libraries

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

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S690-0878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S690-0878?
Check Price and Availability of S690-0878, 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 S690-0878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S690-0878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S690-0878
  • 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 S690-0878 available by request