S897-0832 Screening compound: 3-({2-ethyl-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-yl}oxy)-N-(2-phenylethyl)piperidine-1-carboxamide

S897-0832 Screening compound: 3-({2-ethyl-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-yl}oxy)-N-(2-phenylethyl)piperidine-1-carboxamide
S897-0832 Screening compound: 3-({2-ethyl-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-yl}oxy)-N-(2-phenylethyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S897-0832
3-({2-ethyl-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-yl}oxy)-N-(2-phenylethyl)piperidine-1-carboxamide

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

S897-0832

Molecular Formula

C24H32N4O3 (C24 H32 N4 O3)

Compound Name

3-({2-ethyl-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-yl}oxy)-N-(2-phenylethyl)piperidine-1-carboxamide

IUPAC name

3-({2-ethyl-5H6H8H9H-oxepino[45-d]pyrimidin-4-yl}oxy)-N-(2-phenylethyl)piperidine-1-carboxamide

SMILES

CCc1nc(CCOCC2)c2c(OC(CCC2)CN2C(NCCc2ccccc2)=O)n1

InChI

InChI=1S/C24H32N4O3/c1-2-22-26-21-12-16-30-15-11-20(21)23(27-22)31-19-9-6-14-28(17-19)24(29)25-13-10-18-7-4-3-5-8-18/h3-5,7-8,19H,2,6,9-17H2,1H3,(H,25,29)/t19-/m0/s1

InChI Key

FMVLTJZLYQPHOP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31957244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.54

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

3.404

Distribution Coefficient, logD

3.404

Water Solubility, LogSw

-3.56

Polar Surface Area

63.047

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.17

S897-0832 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 S897-0832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S897-0832?
Check Price and Availability of S897-0832, 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 S897-0832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S897-0832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S897-0832
  • 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 S897-0832 available by request