S896-0024 Screening compound: 2-{4-[4-(2,5-dimethylphenyl)piperazino]-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-yl}ethyl methyl ether

S896-0024 Screening compound: 2-{4-[4-(2,5-dimethylphenyl)piperazino]-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-yl}ethyl methyl ether
S896-0024 Screening compound: 2-{4-[4-(2,5-dimethylphenyl)piperazino]-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-yl}ethyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound S896-0024
2-{4-[4-(2,5-dimethylphenyl)piperazino]-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-yl}ethyl methyl ether

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

S896-0024

Molecular Formula

C23H32N4O2 (C23 H32 N4 O2)

Compound Name

2-{4-[4-(2,5-dimethylphenyl)piperazino]-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-2-yl}ethyl methyl ether

IUPAC name

1-(25-dimethylphenyl)-4-[2-(2-methoxyethyl)-5H6H8H9H-oxepino[45-d]pyrimidin-4-yl]piperazine

SMILES

Cc1cc(N(CC2)CCN2c2nc(CCOC)nc3c2CCOCC3)c(C)cc1

InChI

InChI=1S/C23H32N4O2/c1-17-4-5-18(2)21(16-17)26-9-11-27(12-10-26)23-19-6-14-29-15-7-20(19)24-22(25-23)8-13-28-3/h4-5,16H,6-15H2,1-3H3

InChI Key

GBPWCDNDWKQBOV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

396.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.358

Distribution Coefficient, logD

4.354

Water Solubility, LogSw

-4.39

Polar Surface Area

44.148

Acid Dissociation Constant (pKa)

19.80

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.52

S896-0024 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S896-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S896-0024?
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What is the minimum amount of S896-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S896-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S896-0024
  • 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 S896-0024 available by request