E002-2811 Screening compound: 3-(3-methoxy-5-isoxazolyl)-N~1~-{2-[(4-methylpiperidino)carbonyl]-1-benzofuran-3-yl}propanamide

E002-2811 Screening compound: 3-(3-methoxy-5-isoxazolyl)-N~1~-{2-[(4-methylpiperidino)carbonyl]-1-benzofuran-3-yl}propanamide
E002-2811 Screening compound: 3-(3-methoxy-5-isoxazolyl)-N~1~-{2-[(4-methylpiperidino)carbonyl]-1-benzofuran-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-2811
3-(3-methoxy-5-isoxazolyl)-N~1~-{2-[(4-methylpiperidino)carbonyl]-1-benzofuran-3-yl}propanamide

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

E002-2811

Molecular Formula

C22H25N3O5 (C22 H25 N3 O5)

Compound Name

3-(3-methoxy-5-isoxazolyl)-N~1~-{2-[(4-methylpiperidino)carbonyl]-1-benzofuran-3-yl}propanamide

IUPAC name

n/a

SMILES

CC(CC1)CCN1C(c(oc1c2cccc1)c2NC(CCc1cc(OC)no1)=O)=O

InChI

InChI=1S/C22H25N3O5/c1-14-9-11-25(12-10-14)22(27)21-20(16-5-3-4-6-17(16)29-21)23-18(26)8-7-15-13-19(28-2)24-30-15/h3-6,13-14H,7-12H2,1-2H3,(H,23,26)

InChI Key

CXAOCCGNWRZTIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14836007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.268

Distribution Coefficient, logD

3.222

Water Solubility, LogSw

-3.50

Polar Surface Area

75.316

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

E002-2811 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 E002-2811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-2811?
Check Price and Availability of E002-2811, 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 E002-2811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-2811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-2811
  • 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 E002-2811 available by request