S925-0072 Screening compound: N-{[(2R,6S)-4,6-DIMETHYL-1-(3-METHYLBENZYL)-5-OXOHEXAHYDRO-2-PYRAZINYL]METHYL}-4-PYRIDAZINECARBOXAMIDE

S925-0072 Screening compound: N-{[(2R,6S)-4,6-DIMETHYL-1-(3-METHYLBENZYL)-5-OXOHEXAHYDRO-2-PYRAZINYL]METHYL}-4-PYRIDAZINECARBOXAMIDE
S925-0072 Screening compound: N-{[(2R,6S)-4,6-DIMETHYL-1-(3-METHYLBENZYL)-5-OXOHEXAHYDRO-2-PYRAZINYL]METHYL}-4-PYRIDAZINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S925-0072
N-{[(2R,6S)-4,6-DIMETHYL-1-(3-METHYLBENZYL)-5-OXOHEXAHYDRO-2-PYRAZINYL]METHYL}-4-PYRIDAZINECARBOXAMIDE

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

S925-0072

Molecular Formula

C20H25N5O2 (C20 H25 N5 O2)

Compound Name

N-{[(2R,6S)-4,6-DIMETHYL-1-(3-METHYLBENZYL)-5-OXOHEXAHYDRO-2-PYRAZINYL]METHYL}-4-PYRIDAZINECARBOXAMIDE

IUPAC name

N-{[(2R6S)-46-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl]methyl}pyridazine-4-carboxamide

SMILES

C[C@@H]1N(Cc2cc(C)ccc2)[C@H](CNC(c2cnncc2)=O)CN(C)C1=O

InChI

InChI=1S/C20H25N5O2/c1-14-5-4-6-16(9-14)12-25-15(2)20(27)24(3)13-18(25)11-21-19(26)17-7-8-22-23-10-17/h4-10,15,18H,11-13H2,1-3H3,(H,21,26)/t15-,18-/m0/s1

InChI Key

RHOPWGSCBQGTGR-YJBOKZPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.599

Distribution Coefficient, logD

0.594

Water Solubility, LogSw

-1.68

Polar Surface Area

66.984

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

S925-0072 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)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S925-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S925-0072?
Check Price and Availability of S925-0072, 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 S925-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S925-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S925-0072
  • 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 S925-0072 available by request