E216-1576 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide

E216-1576 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
E216-1576 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-1576
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2,6-dimethyl-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

E216-1576

Molecular Formula

C27H33N3O5 (C27 H33 N3 O5)

Compound Name

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide

IUPAC name

N-[1-(23-dihydro-14-benzodioxin-6-yl)ethyl]-1-(26-dimethyl-34-dihydro-2H-14-benzoxazine-4-carbonyl)piperidine-4-carboxamide

SMILES

CC(c(cc1)cc2c1OCCO2)NC(C(CC1)CCN1C(N1c(cc(C)cc2)c2OC(C)C1)=O)=O

InChI

InChI=1S/C27H33N3O5/c1-17-4-6-23-22(14-17)30(16-18(2)35-23)27(32)29-10-8-20(9-11-29)26(31)28-19(3)21-5-7-24-25(15-21)34-13-12-33-24/h4-7,14-15,18-20H,8-13,16H2,1-3H3,(H,28,31)

InChI Key

IUWZVSWKRVGIKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.091

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.15

Polar Surface Area

63.805

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.10

E216-1576 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E216-1576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-1576?
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What is the minimum amount of E216-1576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-1576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-1576
  • 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 E216-1576 available by request