S896-0132 Screening compound: 1-[2-(4-methoxyphenyl)-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-yl]-4-methylpiperazine

S896-0132 Screening compound: 1-[2-(4-methoxyphenyl)-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-yl]-4-methylpiperazine
S896-0132 Screening compound: 1-[2-(4-methoxyphenyl)-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-yl]-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S896-0132
1-[2-(4-methoxyphenyl)-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-yl]-4-methylpiperazine

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

S896-0132

Molecular Formula

C20H26N4O2 (C20 H26 N4 O2)

Compound Name

1-[2-(4-methoxyphenyl)-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-yl]-4-methylpiperazine

IUPAC name

1-[2-(4-methoxyphenyl)-5H6H8H9H-oxepino[45-d]pyrimidin-4-yl]-4-methylpiperazine

SMILES

CN(CC1)CCN1c1nc(-c(cc2)ccc2OC)nc2c1CCOCC2

InChI

InChI=1S/C20H26N4O2/c1-23-9-11-24(12-10-23)20-17-7-13-26-14-8-18(17)21-19(22-20)15-3-5-16(25-2)6-4-15/h3-6H,7-14H2,1-2H3

InChI Key

UKJKLUVNYHPCKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31956717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.570

Distribution Coefficient, logD

2.390

Water Solubility, LogSw

-3.58

Polar Surface Area

42.605

Acid Dissociation Constant (pKa)

19.80

Base Dissociation Constant (pKb)

8.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S896-0132 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

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)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
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 S896-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S896-0132?
Check Price and Availability of S896-0132, 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 S896-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S896-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S896-0132
  • 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 S896-0132 available by request