S925-0078 Screening compound: N-({4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)-2-(1H-1,2,3,4-tetrazol-1-yl)acetamide

S925-0078 Screening compound: N-({4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)-2-(1H-1,2,3,4-tetrazol-1-yl)acetamide
S925-0078 Screening compound: N-({4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)-2-(1H-1,2,3,4-tetrazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S925-0078
N-({4,6-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl}methyl)-2-(1H-1,2,3,4-tetrazol-1-yl)acetamide

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

S925-0078

Molecular Formula

C18H25N7O2 (C18 H25 N7 O2)

Compound Name

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

IUPAC name

N-{[(2R6S)-46-dimethyl-1-[(3-methylphenyl)methyl]-5-oxopiperazin-2-yl]methyl}-2-(1H-1234-tetrazol-1-yl)acetamide

SMILES

C[C@@H]1N(Cc2cc(C)ccc2)[C@H](CNC(Cn2nnnc2)=O)CN(C)C1=O

InChI

InChI=1S/C18H25N7O2/c1-13-5-4-6-15(7-13)9-25-14(2)18(27)23(3)10-16(25)8-19-17(26)11-24-12-20-21-22-24/h4-7,12,14,16H,8-11H2,1-3H3,(H,19,26)/t14-,16+/m0/s1

InChI Key

MXJTVLJUACWSCB-DOTOQJQBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.693

Distribution Coefficient, logD

0.677

Water Solubility, LogSw

-1.97

Polar Surface Area

83.443

Acid Dissociation Constant (pKa)

14.46

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S925-0078 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)

RAR (Nuclear receptors) Ligands Library (6524 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
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with S925-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S925-0078?
Check Price and Availability of S925-0078, 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 S925-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S925-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S925-0078
  • 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 S925-0078 available by request