E920-0090 Screening compound: 1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

E920-0090 Screening compound: 1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
E920-0090 Screening compound: 1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E920-0090
1-{4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbonyl}-4-[3-(trifluoromethyl)phenyl]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

E920-0090

Molecular Formula

C20H22F3N3O2 (C20 H22 F3 N3 O2)

Compound Name

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

IUPAC name

1-{4H5H6H7H8H-cyclohepta[d][12]oxazole-3-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

SMILES

O=C(c1noc2c1CCCCC2)N(CC1)CCN1c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C20H22F3N3O2/c21-20(22,23)14-5-4-6-15(13-14)25-9-11-26(12-10-25)19(27)18-16-7-2-1-3-8-17(16)28-24-18/h4-6,13H,1-3,7-12H2

InChI Key

VLOXUCYYXGBFKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09784346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

3.919

Water Solubility, LogSw

-4.06

Polar Surface Area

42.878

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E920-0090 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E920-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E920-0090?
Check Price and Availability of E920-0090, 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 E920-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E920-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E920-0090
  • 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 E920-0090 available by request