E216-5468 Screening compound: 1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[(furan-2-yl)methyl]piperidine-4-carboxamide

E216-5468 Screening compound: 1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[(furan-2-yl)methyl]piperidine-4-carboxamide
E216-5468 Screening compound: 1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[(furan-2-yl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5468
1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[(furan-2-yl)methyl]piperidine-4-carboxamide

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

E216-5468

Molecular Formula

C22H27N3O4 (C22 H27 N3 O4)

Compound Name

1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[(furan-2-yl)methyl]piperidine-4-carboxamide

IUPAC name

1-(2-ethyl-34-dihydro-2H-14-benzoxazine-4-carbonyl)-N-[(furan-2-yl)methyl]piperidine-4-carboxamide

SMILES

CCC(C1)Oc(cccc2)c2N1C(N(CC1)CCC1C(NCc1ccco1)=O)=O

InChI

InChI=1S/C22H27N3O4/c1-2-17-15-25(19-7-3-4-8-20(19)29-17)22(27)24-11-9-16(10-12-24)21(26)23-14-18-6-5-13-28-18/h3-8,13,16-17H,2,9-12,14-15H2,1H3,(H,23,26)/t17-/m1/s1

InChI Key

BNEPCCQTKDZAJA-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14848305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.108

Distribution Coefficient, logD

3.108

Water Solubility, LogSw

-3.27

Polar Surface Area

56.762

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

E216-5468 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E216-5468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5468?
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What is the minimum amount of E216-5468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5468
  • 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 E216-5468 available by request