E216-5522 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide

E216-5522 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
E216-5522 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5522
N-[2-(cyclohex-1-en-1-yl)ethyl]-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

E216-5522

Molecular Formula

C25H35N3O3 (C25 H35 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(C1)Oc(cccc2)c2N1C(N(CC1)CCC1C(NCCC1=CCCCC1)=O)=O

InChI

InChI=1S/C25H35N3O3/c1-2-21-18-28(22-10-6-7-11-23(22)31-21)25(30)27-16-13-20(14-17-27)24(29)26-15-12-19-8-4-3-5-9-19/h6-8,10-11,20-21H,2-5,9,12-18H2,1H3,(H,26,29)/t21-/m1/s1

InChI Key

NKVYJVMRDBRANW-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14848336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.901

Distribution Coefficient, logD

3.901

Water Solubility, LogSw

-3.84

Polar Surface Area

49.047

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

E216-5522 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 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
  • 3D

References: we are preparing a list of scientific research reports with E216-5522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5522?
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What is the minimum amount of E216-5522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5522
  • 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 E216-5522 available by request