E216-5583 Screening compound: 1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxamide

E216-5583 Screening compound: 1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxamide
E216-5583 Screening compound: 1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5583
1-(2-ethyl-3,4-dihydro-2H-1,4-benzoxazine-4-carbonyl)-N-[2-(thiophen-2-yl)ethyl]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

E216-5583

Molecular Formula

C23H29N3O3S (C23 H29 N3 O3 S)

Compound Name

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

IUPAC name

1-(2-ethyl-34-dihydro-2H-14-benzoxazine-4-carbonyl)-N-[2-(thiophen-2-yl)ethyl]piperidine-4-carboxamide

SMILES

CCC(C1)Oc(cccc2)c2N1C(N(CC1)CCC1C(NCCc1cccs1)=O)=O

InChI

InChI=1S/C23H29N3O3S/c1-2-18-16-26(20-7-3-4-8-21(20)29-18)23(28)25-13-10-17(11-14-25)22(27)24-12-9-19-6-5-15-30-19/h3-8,15,17-18H,2,9-14,16H2,1H3,(H,24,27)/t18-/m1/s1

InChI Key

PQJNLQZXGLIBTD-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14848358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.490

Distribution Coefficient, logD

3.490

Water Solubility, LogSw

-3.65

Polar Surface Area

49.873

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

E216-5583 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 E216-5583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5583?
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What is the minimum amount of E216-5583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5583
  • 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 E216-5583 available by request