E920-0092 Screening compound: 1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}-4-(pyridin-2-yl)piperazine

E920-0092 Screening compound: 1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}-4-(pyridin-2-yl)piperazine
E920-0092 Screening compound: 1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}-4-(pyridin-2-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E920-0092
1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}-4-(pyridin-2-yl)piperazine

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

E920-0092

Molecular Formula

C18H22N4O2 (C18 H22 N4 O2)

Compound Name

1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}-4-(pyridin-2-yl)piperazine

IUPAC name

1-{4H5H6H7H8H-cyclohepta[d][12]oxazole-3-carbonyl}-4-(pyridin-2-yl)piperazine

SMILES

O=C(c1noc2c1CCCCC2)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C18H22N4O2/c23-18(17-14-6-2-1-3-7-15(14)24-20-17)22-12-10-21(11-13-22)16-8-4-5-9-19-16/h4-5,8-9H,1-3,6-7,10-13H2

InChI Key

DHJORDNPTSUFQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09784347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

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

2.786

Distribution Coefficient, logD

2.777

Water Solubility, LogSw

-2.84

Polar Surface Area

51.389

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E920-0092 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E920-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E920-0092?
Check Price and Availability of E920-0092, 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 E920-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E920-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E920-0092
  • 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 E920-0092 available by request