E216-0081 Screening compound: 1-(6-chloro-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-cycloheptylpiperidine-4-carboxamide

E216-0081 Screening compound: 1-(6-chloro-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-cycloheptylpiperidine-4-carboxamide
E216-0081 Screening compound: 1-(6-chloro-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-cycloheptylpiperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-0081
1-(6-chloro-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-cycloheptylpiperidine-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

E216-0081

Molecular Formula

C22H30ClN3O3 (C22 H30 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC1)CCN1C(N1c(cc(cc2)Cl)c2OCC1)=O)NC1CCCCCC1

InChI

InChI=1S/C22H30ClN3O3/c23-17-7-8-20-19(15-17)26(13-14-29-20)22(28)25-11-9-16(10-12-25)21(27)24-18-5-3-1-2-4-6-18/h7-8,15-16,18H,1-6,9-14H2,(H,24,27)

InChI Key

OQGZIIXWZVNAQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.226

Distribution Coefficient, logD

4.226

Water Solubility, LogSw

-4.44

Polar Surface Area

49.778

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

E216-0081 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E216-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-0081?
Check Price and Availability of E216-0081, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E216-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-0081
  • 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 E216-0081 available by request