S897-0617 Screening compound: 1-[3-({2-cyclopropyl-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-yl}oxy)piperidin-1-yl]propan-1-one

S897-0617 Screening compound: 1-[3-({2-cyclopropyl-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-yl}oxy)piperidin-1-yl]propan-1-one
S897-0617 Screening compound: 1-[3-({2-cyclopropyl-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-yl}oxy)piperidin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S897-0617
1-[3-({2-cyclopropyl-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-yl}oxy)piperidin-1-yl]propan-1-one

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

S897-0617

Molecular Formula

C19H27N3O3 (C19 H27 N3 O3)

Compound Name

1-[3-({2-cyclopropyl-5H,6H,8H,9H-oxepino[4,5-d]pyrimidin-4-yl}oxy)piperidin-1-yl]propan-1-one

IUPAC name

1-[3-({2-cyclopropyl-5H6H8H9H-oxepino[45-d]pyrimidin-4-yl}oxy)piperidin-1-yl]propan-1-one

SMILES

CCC(N(CCC1)CC1Oc1nc(C2CC2)nc2c1CCOCC2)=O

InChI

InChI=1S/C19H27N3O3/c1-2-17(23)22-9-3-4-14(12-22)25-19-15-7-10-24-11-8-16(15)20-18(21-19)13-5-6-13/h13-14H,2-12H2,1H3/t14-/m0/s1

InChI Key

PVROLRZXZCHNIG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD31957794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.559

Distribution Coefficient, logD

2.559

Water Solubility, LogSw

-2.19

Polar Surface Area

52.067

Acid Dissociation Constant (pKa)

19.80

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.68

S897-0617 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S897-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S897-0617?
Check Price and Availability of S897-0617, 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 S897-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S897-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S897-0617
  • 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 S897-0617 available by request