E216-5602 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide

E216-5602 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide
E216-5602 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5602
N-[(2,4-dimethoxyphenyl)methyl]-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

E216-5602

Molecular Formula

C26H33N3O5 (C26 H33 N3 O5)

Compound Name

N-[(2,4-dimethoxyphenyl)methyl]-1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)piperidine-4-carboxamide

IUPAC name

N-[(24-dimethoxyphenyl)methyl]-1-(2-ethyl-34-dihydro-2H-14-benzoxazine-4-carbonyl)piperidine-4-carboxamide

SMILES

CCC(C1)Oc(cccc2)c2N1C(N(CC1)CCC1C(NCc(ccc(OC)c1)c1OC)=O)=O

InChI

InChI=1S/C26H33N3O5/c1-4-20-17-29(22-7-5-6-8-23(22)34-20)26(31)28-13-11-18(12-14-28)25(30)27-16-19-9-10-21(32-2)15-24(19)33-3/h5-10,15,18,20H,4,11-14,16-17H2,1-3H3,(H,27,30)/t20-/m1/s1

InChI Key

BHXTUTNJGKNUGE-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14848368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.577

Distribution Coefficient, logD

3.577

Water Solubility, LogSw

-3.65

Polar Surface Area

64.187

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

E216-5602 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with E216-5602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5602?
Check Price and Availability of E216-5602, 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 E216-5602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5602
  • 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 E216-5602 available by request