E216-0268 Screening compound: 6-chloro-2-methyl-4-[4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,4-benzoxazine

E216-0268 Screening compound: 6-chloro-2-methyl-4-[4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,4-benzoxazine
E216-0268 Screening compound: 6-chloro-2-methyl-4-[4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,4-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-0268
6-chloro-2-methyl-4-[4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,4-benzoxazine

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

E216-0268

Molecular Formula

C26H31ClN4O3 (C26 H31 ClN4 O3)

Compound Name

6-chloro-2-methyl-4-[4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,4-benzoxazine

IUPAC name

6-chloro-2-methyl-4-[4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carbonyl]-34-dihydro-2H-14-benzoxazine

SMILES

CC(C1)Oc(ccc(Cl)c2)c2N1C(N(CC1)CCC1C(N(CC1)CCN1c1ccccc1)=O)=O

InChI

InChI=1S/C26H31ClN4O3/c1-19-18-31(23-17-21(27)7-8-24(23)34-19)26(33)30-11-9-20(10-12-30)25(32)29-15-13-28(14-16-29)22-5-3-2-4-6-22/h2-8,17,19-20H,9-16,18H2,1H3/t19-/m1/s1

InChI Key

WXKGGQRXFSPAHK-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14847673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.01

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.140

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.44

Polar Surface Area

44.314

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

E216-0268 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 E216-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-0268?
Check Price and Availability of E216-0268, 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 E216-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-0268
  • 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 E216-0268 available by request