E920-0057 Screening compound: 1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}pyrrolidine

E920-0057 Screening compound: 1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}pyrrolidine
E920-0057 Screening compound: 1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E920-0057
1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}pyrrolidine

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

E920-0057

Molecular Formula

C13H18N2O2 (C13 H18 N2 O2)

Compound Name

1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}pyrrolidine

IUPAC name

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

SMILES

O=C(c1noc2c1CCCCC2)N1CCCC1

InChI

InChI=1S/C13H18N2O2/c16-13(15-8-4-5-9-15)12-10-6-2-1-3-7-11(10)17-14-12/h1-9H2

InChI Key

FEHAJBMDILDBSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27093440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.196

Distribution Coefficient, logD

2.196

Water Solubility, LogSw

-2.06

Polar Surface Area

39.984

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.20

E920-0057 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • GPCR
  • Kinases
Agro:
  • Agro
Structure:
  • Fragments
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E920-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E920-0057?
Check Price and Availability of E920-0057, 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 E920-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E920-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E920-0057
  • 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 E920-0057 available by request