E762-1857 Screening compound: (4-benzylpiperidino)(2-ethyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-5-yl)methanone

E762-1857 Screening compound: (4-benzylpiperidino)(2-ethyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-5-yl)methanone
E762-1857 Screening compound: (4-benzylpiperidino)(2-ethyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-5-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E762-1857
(4-benzylpiperidino)(2-ethyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-5-yl)methanone

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

E762-1857

Molecular Formula

C25H28N2O2 (C25 H28 N2 O2)

Compound Name

(4-benzylpiperidino)(2-ethyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-5-yl)methanone

IUPAC name

2-(4-benzylpiperidine-1-carbonyl)-10-ethyl-9-oxa-1-azatricyclo[6.3.1.0^{412}]dodeca-24(12)57-tetraene

SMILES

CCC(C1)Oc2cccc3c2n1c(C(N1CCC(Cc2ccccc2)CC1)=O)c3

InChI

InChI=1S/C25H28N2O2/c1-2-21-17-27-22(16-20-9-6-10-23(29-21)24(20)27)25(28)26-13-11-19(12-14-26)15-18-7-4-3-5-8-18/h3-10,16,19,21H,2,11-15,17H2,1H3/t21-/m1/s1

InChI Key

BDMOPXCYBHDECO-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD27601322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.419

Distribution Coefficient, logD

5.419

Water Solubility, LogSw

-6.18

Polar Surface Area

23.675

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

E762-1857 in Drug Discovery

Included in Screening Libraries

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

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 E762-1857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E762-1857?
Check Price and Availability of E762-1857, 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 E762-1857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E762-1857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E762-1857
  • 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 E762-1857 available by request