E920-0086 Screening compound: (4-propylpiperazino)(5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazol-3-yl)methanone

E920-0086 Screening compound: (4-propylpiperazino)(5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazol-3-yl)methanone
E920-0086 Screening compound: (4-propylpiperazino)(5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazol-3-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E920-0086
(4-propylpiperazino)(5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazol-3-yl)methanone

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

E920-0086

Molecular Formula

C16H25N3O2 (C16 H25 N3 O2)

Compound Name

(4-propylpiperazino)(5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazol-3-yl)methanone

IUPAC name

1-{4H5H6H7H8H-cyclohepta[d][12]oxazole-3-carbonyl}-4-propylpiperazine

SMILES

CCCN(CC1)CCN1C(c1noc2c1CCCCC2)=O

InChI

InChI=1S/C16H25N3O2/c1-2-8-18-9-11-19(12-10-18)16(20)15-13-6-4-3-5-7-14(13)21-17-15/h2-12H2,1H3

InChI Key

ASIFDAZXNDUFJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27093442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.113

Distribution Coefficient, logD

1.929

Water Solubility, LogSw

-1.93

Polar Surface Area

43.408

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

E920-0086 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E920-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E920-0086?
Check Price and Availability of E920-0086, 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 E920-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E920-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E920-0086
  • 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 E920-0086 available by request