E762-1861 Screening compound: (2-ethyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-5-yl)[4-(2-pyridyl)piperazino]methanone

E762-1861 Screening compound: (2-ethyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-5-yl)[4-(2-pyridyl)piperazino]methanone
E762-1861 Screening compound: (2-ethyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-5-yl)[4-(2-pyridyl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E762-1861
(2-ethyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-5-yl)[4-(2-pyridyl)piperazino]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

E762-1861

Molecular Formula

C22H24N4O2 (C22 H24 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C1)Oc2cccc3c2n1c(C(N(CC1)CCN1c1ncccc1)=O)c3

InChI

InChI=1S/C22H24N4O2/c1-2-17-15-26-18(14-16-6-5-7-19(28-17)21(16)26)22(27)25-12-10-24(11-13-25)20-8-3-4-9-23-20/h3-9,14,17H,2,10-13,15H2,1H3/t17-/m1/s1

InChI Key

HZNYBTMFPVGCOM-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27601324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.751

Distribution Coefficient, logD

3.742

Water Solubility, LogSw

-3.72

Polar Surface Area

35.718

Acid Dissociation Constant (pKa)

24.77

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

E762-1861 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E762-1861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E762-1861?
Check Price and Availability of E762-1861, 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 E762-1861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E762-1861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E762-1861
  • 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 E762-1861 available by request