E920-0059 Screening compound: 1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}-4-cyclohexylpiperazine

E920-0059 Screening compound: 1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}-4-cyclohexylpiperazine
E920-0059 Screening compound: 1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}-4-cyclohexylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E920-0059
1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}-4-cyclohexylpiperazine

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

E920-0059

Molecular Formula

C19H29N3O2 (C19 H29 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1noc2c1CCCCC2)N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C19H29N3O2/c23-19(18-16-9-5-2-6-10-17(16)24-20-18)22-13-11-21(12-14-22)15-7-3-1-4-8-15/h15H,1-14H2

InChI Key

BINNGPPHWQEUCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.140

Distribution Coefficient, logD

2.976

Water Solubility, LogSw

-2.95

Polar Surface Area

42.711

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

78.90

E920-0059 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E920-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E920-0059?
Check Price and Availability of E920-0059, 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 E920-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E920-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E920-0059
  • 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 E920-0059 available by request