E216-0326 Screening compound: 1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-cycloheptylpiperidine-4-carboxamide

E216-0326 Screening compound: 1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-cycloheptylpiperidine-4-carboxamide
E216-0326 Screening compound: 1-(6-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-cycloheptylpiperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-0326
1-(6-chloro-2-methyl-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

E216-0326

Molecular Formula

C23H32ClN3O3 (C23 H32 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C1)Oc(ccc(Cl)c2)c2N1C(N(CC1)CCC1C(NC1CCCCCC1)=O)=O

InChI

InChI=1S/C23H32ClN3O3/c1-16-15-27(20-14-18(24)8-9-21(20)30-16)23(29)26-12-10-17(11-13-26)22(28)25-19-6-4-2-3-5-7-19/h8-9,14,16-17,19H,2-7,10-13,15H2,1H3,(H,25,28)/t16-/m1/s1

InChI Key

CUHDZFMULYHXDW-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14847680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.98

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

4.538

Distribution Coefficient, logD

4.538

Water Solubility, LogSw

-4.63

Polar Surface Area

48.875

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.20

E216-0326 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E216-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-0326?
Check Price and Availability of E216-0326, 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 E216-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-0326
  • 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 E216-0326 available by request