E920-0045 Screening compound: ethyl 4-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}piperazine-1-carboxylate

E920-0045 Screening compound: ethyl 4-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}piperazine-1-carboxylate
E920-0045 Screening compound: ethyl 4-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E920-0045
ethyl 4-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}piperazine-1-carboxylate

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

E920-0045

Molecular Formula

C16H23N3O4 (C16 H23 N3 O4)

Compound Name

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

IUPAC name

ethyl 4-{4H5H6H7H8H-cyclohepta[d][12]oxazole-3-carbonyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1noc2c1CCCCC2)=O)=O

InChI

InChI=1S/C16H23N3O4/c1-2-22-16(21)19-10-8-18(9-11-19)15(20)14-12-6-4-3-5-7-13(12)23-17-14/h2-11H2,1H3

InChI Key

LCILCFNJBDSRJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.021

Distribution Coefficient, logD

2.021

Water Solubility, LogSw

-1.84

Polar Surface Area

62.398

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.80

E920-0045 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E920-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E920-0045?
Check Price and Availability of E920-0045, 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 E920-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E920-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E920-0045
  • 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 E920-0045 available by request