S925-0477 Screening compound: 2,5-dimethyl-N~3~-{[(2R,6S)-4-methyl-5-oxo-6-phenyl-1-(3-pyridylmethyl)hexahydro-2-pyrazinyl]methyl}-3-furamide

S925-0477 Screening compound: 2,5-dimethyl-N~3~-{[(2R,6S)-4-methyl-5-oxo-6-phenyl-1-(3-pyridylmethyl)hexahydro-2-pyrazinyl]methyl}-3-furamide
S925-0477 Screening compound: 2,5-dimethyl-N~3~-{[(2R,6S)-4-methyl-5-oxo-6-phenyl-1-(3-pyridylmethyl)hexahydro-2-pyrazinyl]methyl}-3-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S925-0477
2,5-dimethyl-N~3~-{[(2R,6S)-4-methyl-5-oxo-6-phenyl-1-(3-pyridylmethyl)hexahydro-2-pyrazinyl]methyl}-3-furamide

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

S925-0477

Molecular Formula

C25H28N4O3 (C25 H28 N4 O3)

Compound Name

2,5-dimethyl-N~3~-{[(2R,6S)-4-methyl-5-oxo-6-phenyl-1-(3-pyridylmethyl)hexahydro-2-pyrazinyl]methyl}-3-furamide

IUPAC name

25-dimethyl-N-{[(2R6S)-4-methyl-5-oxo-6-phenyl-1-[(pyridin-3-yl)methyl]piperazin-2-yl]methyl}furan-3-carboxamide

SMILES

Cc1cc(C(NC[C@H](CN2C)N(Cc3cnccc3)[C@@H](c3ccccc3)C2=O)=O)c(C)o1

InChI

InChI=1S/C25H28N4O3/c1-17-12-22(18(2)32-17)24(30)27-14-21-16-28(3)25(31)23(20-9-5-4-6-10-20)29(21)15-19-8-7-11-26-13-19/h4-13,21,23H,14-16H2,1-3H3,(H,27,30)/t21-,23-/m0/s1

InChI Key

VFSKGNUJJORUNS-GMAHTHKFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.464

Distribution Coefficient, logD

2.464

Water Solubility, LogSw

-2.98

Polar Surface Area

60.873

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.00

S925-0477 in Drug Discovery

Included in Screening Libraries

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

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
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S925-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S925-0477?
Check Price and Availability of S925-0477, 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 S925-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S925-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S925-0477
  • 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 S925-0477 available by request