S925-0129 Screening compound: N-({4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)-3-(4-methyl-1H-pyrazol-1-yl)propanamide

S925-0129 Screening compound: N-({4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)-3-(4-methyl-1H-pyrazol-1-yl)propanamide
S925-0129 Screening compound: N-({4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)-3-(4-methyl-1H-pyrazol-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S925-0129
N-({4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)-3-(4-methyl-1H-pyrazol-1-yl)propanamide

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

S925-0129

Molecular Formula

C22H31N5O2 (C22 H31 N5 O2)

Compound Name

N-({4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)-3-(4-methyl-1H-pyrazol-1-yl)propanamide

IUPAC name

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

SMILES

C[C@@H]1N(Cc2cc(C)ccc2)[C@H](CNC(CCn2ncc(C)c2)=O)CN(C)C1=O

InChI

InChI=1S/C22H31N5O2/c1-16-6-5-7-19(10-16)14-27-18(3)22(29)25(4)15-20(27)12-23-21(28)8-9-26-13-17(2)11-24-26/h5-7,10-11,13,18,20H,8-9,12,14-15H2,1-4H3,(H,23,28)/t18-,20-/m0/s1

InChI Key

BXGAOJHHEGZGIF-ICSRJNTNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.528

Distribution Coefficient, logD

1.500

Water Solubility, LogSw

-2.02

Polar Surface Area

58.013

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

6.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S925-0129 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 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 S925-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S925-0129?
Check Price and Availability of S925-0129, 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 S925-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S925-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S925-0129
  • 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 S925-0129 available by request