E216-5394 Screening compound: 2-ethyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,4-benzoxazine

E216-5394 Screening compound: 2-ethyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,4-benzoxazine
E216-5394 Screening compound: 2-ethyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,4-benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E216-5394
2-ethyl-4-[4-(pyrrolidine-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

E216-5394

Molecular Formula

C21H29N3O3 (C21 H29 N3 O3)

Compound Name

2-ethyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,4-benzoxazine

IUPAC name

2-ethyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-34-dihydro-2H-14-benzoxazine

SMILES

CCC(C1)Oc(cccc2)c2N1C(N(CC1)CCC1C(N1CCCC1)=O)=O

InChI

InChI=1S/C21H29N3O3/c1-2-17-15-24(18-7-3-4-8-19(18)27-17)21(26)23-13-9-16(10-14-23)20(25)22-11-5-6-12-22/h3-4,7-8,16-17H,2,5-6,9-15H2,1H3/t17-/m1/s1

InChI Key

UDEPCPOUZAXXBH-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14848273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.055

Distribution Coefficient, logD

3.055

Water Solubility, LogSw

-3.24

Polar Surface Area

41.614

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

E216-5394 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 E216-5394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E216-5394?
Check Price and Availability of E216-5394, 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 E216-5394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E216-5394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E216-5394
  • 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 E216-5394 available by request