E216-0386 Screening compound: 1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide

E216-0386 Screening compound: 1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide
E216-0386 Screening compound: 1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-0386
1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)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

E216-0386

Molecular Formula

C25H30ClN3O3 (C25 H30 ClN3 O3)

Compound Name

1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide

IUPAC name

1-(6-chloro-2-methyl-34-dihydro-2H-14-benzoxazine-4-carbonyl)-N-(2-phenylpropyl)piperidine-4-carboxamide

SMILES

CC(CNC(C(CC1)CCN1C(N1c(cc(cc2)Cl)c2OC(C)C1)=O)=O)c1ccccc1

InChI

InChI=1S/C25H30ClN3O3/c1-17(19-6-4-3-5-7-19)15-27-24(30)20-10-12-28(13-11-20)25(31)29-16-18(2)32-23-9-8-21(26)14-22(23)29/h3-9,14,17-18,20H,10-13,15-16H2,1-2H3,(H,27,30)

InChI Key

SZOJYYDUEYPIBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.98

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

4.857

Distribution Coefficient, logD

4.857

Water Solubility, LogSw

-4.89

Polar Surface Area

48.819

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

E216-0386 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E216-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-0386?
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What is the minimum amount of E216-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-0386
  • 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 E216-0386 available by request