E216-5479 Screening compound: N-(2,5-dimethylphenyl)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide

E216-5479 Screening compound: N-(2,5-dimethylphenyl)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
E216-5479 Screening compound: N-(2,5-dimethylphenyl)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5479
N-(2,5-dimethylphenyl)-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

E216-5479

Molecular Formula

C25H31N3O3 (C25 H31 N3 O3)

Compound Name

N-(2,5-dimethylphenyl)-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide

IUPAC name

N-(25-dimethylphenyl)-1-(2-ethyl-34-dihydro-2H-14-benzoxazine-4-carbonyl)piperidine-4-carboxamide

SMILES

CCC(C1)Oc(cccc2)c2N1C(N(CC1)CCC1C(Nc1c(C)ccc(C)c1)=O)=O

InChI

InChI=1S/C25H31N3O3/c1-4-20-16-28(22-7-5-6-8-23(22)31-20)25(30)27-13-11-19(12-14-27)24(29)26-21-15-17(2)9-10-18(21)3/h5-10,15,19-20H,4,11-14,16H2,1-3H3,(H,26,29)/t20-/m1/s1

InChI Key

HDVHDHBGORVCGB-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14848313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.008

Distribution Coefficient, logD

4.008

Water Solubility, LogSw

-3.92

Polar Surface Area

46.993

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

E216-5479 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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

References: we are preparing a list of scientific research reports with E216-5479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5479?
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What is the minimum amount of E216-5479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5479
  • 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 E216-5479 available by request