E216-5449 Screening compound: N-[(4-chlorophenyl)methyl]-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide

E216-5449 Screening compound: N-[(4-chlorophenyl)methyl]-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
E216-5449 Screening compound: N-[(4-chlorophenyl)methyl]-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5449
N-[(4-chlorophenyl)methyl]-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)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

E216-5449

Molecular Formula

C24H28ClN3O3 (C24 H28 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(C1)Oc(cccc2)c2N1C(N(CC1)CCC1C(NCc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C24H28ClN3O3/c1-2-20-16-28(21-5-3-4-6-22(21)31-20)24(30)27-13-11-18(12-14-27)23(29)26-15-17-7-9-19(25)10-8-17/h3-10,18,20H,2,11-16H2,1H3,(H,26,29)/t20-/m1/s1

InChI Key

MTVBSFNFHRRSEE-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14848294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.952

Distribution Coefficient, logD

3.952

Water Solubility, LogSw

-4.27

Polar Surface Area

49.013

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

E216-5449 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E216-5449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5449?
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What is the minimum amount of E216-5449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5449
  • 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 E216-5449 available by request