S776-1615 Screening compound: 1-(3-methyl-1H-pyrazole-5-carbonyl)-4-[2-(5-methyl-2-phenyl-1H-imidazol-1-yl)ethyl]piperidine

S776-1615 Screening compound: 1-(3-methyl-1H-pyrazole-5-carbonyl)-4-[2-(5-methyl-2-phenyl-1H-imidazol-1-yl)ethyl]piperidine
S776-1615 Screening compound: 1-(3-methyl-1H-pyrazole-5-carbonyl)-4-[2-(5-methyl-2-phenyl-1H-imidazol-1-yl)ethyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S776-1615
1-(3-methyl-1H-pyrazole-5-carbonyl)-4-[2-(5-methyl-2-phenyl-1H-imidazol-1-yl)ethyl]piperidine

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

S776-1615

Molecular Formula

C22H27N5O (C22 H27 N5 O)

Compound Name

1-(3-methyl-1H-pyrazole-5-carbonyl)-4-[2-(5-methyl-2-phenyl-1H-imidazol-1-yl)ethyl]piperidine

IUPAC name

1-(3-methyl-1H-pyrazole-5-carbonyl)-4-[2-(5-methyl-2-phenyl-1H-imidazol-1-yl)ethyl]piperidine

SMILES

Cc1cnc(-c2ccccc2)n1CCC(CC1)CCN1C(c1cc(C)n[nH]1)=O

InChI

InChI=1S/C22H27N5O/c1-16-14-20(25-24-16)22(28)26-11-8-18(9-12-26)10-13-27-17(2)15-23-21(27)19-6-4-3-5-7-19/h3-7,14-15,18H,8-13H2,1-2H3,(H,24,25)

InChI Key

SHQAOOIMOGYOMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.609

Distribution Coefficient, logD

3.595

Water Solubility, LogSw

-3.57

Polar Surface Area

50.346

Acid Dissociation Constant (pKa)

8.68

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

S776-1615 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S776-1615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S776-1615?
Check Price and Availability of S776-1615, 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 S776-1615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S776-1615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S776-1615
  • 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 S776-1615 available by request