S925-0680 Screening compound: N-{[(2S,6S)-4,6-DIMETHYL-5-OXO-1-(3-PYRIDYLMETHYL)HEXAHYDRO-2-PYRAZINYL]METHYL}-8-QUINOLINESULFONAMIDE

S925-0680 Screening compound: N-{[(2S,6S)-4,6-DIMETHYL-5-OXO-1-(3-PYRIDYLMETHYL)HEXAHYDRO-2-PYRAZINYL]METHYL}-8-QUINOLINESULFONAMIDE
S925-0680 Screening compound: N-{[(2S,6S)-4,6-DIMETHYL-5-OXO-1-(3-PYRIDYLMETHYL)HEXAHYDRO-2-PYRAZINYL]METHYL}-8-QUINOLINESULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S925-0680
N-{[(2S,6S)-4,6-DIMETHYL-5-OXO-1-(3-PYRIDYLMETHYL)HEXAHYDRO-2-PYRAZINYL]METHYL}-8-QUINOLINESULFONAMIDE

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

S925-0680

Molecular Formula

C22H25N5O3S (C22 H25 N5 O3 S)

Compound Name

N-{[(2S,6S)-4,6-DIMETHYL-5-OXO-1-(3-PYRIDYLMETHYL)HEXAHYDRO-2-PYRAZINYL]METHYL}-8-QUINOLINESULFONAMIDE

IUPAC name

N-{[(2S6S)-46-dimethyl-5-oxo-1-[(pyridin-3-yl)methyl]piperazin-2-yl]methyl}quinoline-8-sulfonamide

SMILES

C[C@@H]1N(Cc2cnccc2)[C@H](CNS(c2cccc3cccnc23)(=O)=O)CN(C)C1=O

InChI

InChI=1S/C22H25N5O3S/c1-16-22(28)26(2)15-19(27(16)14-17-6-4-10-23-12-17)13-25-31(29,30)20-9-3-7-18-8-5-11-24-21(18)20/h3-12,16,19,25H,13-15H2,1-2H3/t16-,19+/m0/s1

InChI Key

PNBOEJIZGQKBLD-QFBILLFUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.632

Distribution Coefficient, logD

0.631

Water Solubility, LogSw

-2.24

Polar Surface Area

79.867

Acid Dissociation Constant (pKa)

10.32

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.82

S925-0680 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S925-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S925-0680?
Check Price and Availability of S925-0680, 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 S925-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S925-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S925-0680
  • 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 S925-0680 available by request