E216-5417 Screening compound: 2-ethyl-4-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-3,4-dihydro-2H-1,4-benzoxazine

E216-5417 Screening compound: 2-ethyl-4-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-3,4-dihydro-2H-1,4-benzoxazine
E216-5417 Screening compound: 2-ethyl-4-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-3,4-dihydro-2H-1,4-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5417
2-ethyl-4-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-3,4-dihydro-2H-1,4-benzoxazine

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

E216-5417

Molecular Formula

C27H33FN4O3 (C27 H33 FN4 O3)

Compound Name

2-ethyl-4-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-3,4-dihydro-2H-1,4-benzoxazine

IUPAC name

2-ethyl-4-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-34-dihydro-2H-14-benzoxazine

SMILES

CCC(C1)Oc(cccc2)c2N1C(N(CC1)CCC1C(N(CC1)CCN1c(cccc1)c1F)=O)=O

InChI

InChI=1S/C27H33FN4O3/c1-2-21-19-32(24-9-5-6-10-25(24)35-21)27(34)31-13-11-20(12-14-31)26(33)30-17-15-29(16-18-30)23-8-4-3-7-22(23)28/h3-10,20-21H,2,11-19H2,1H3

InChI Key

GTTKTLVTFCJVGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14848285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.084

Distribution Coefficient, logD

4.084

Water Solubility, LogSw

-4.08

Polar Surface Area

44.208

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

E216-5417 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E216-5417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5417?
Check Price and Availability of E216-5417, 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 E216-5417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5417
  • 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 E216-5417 available by request