E613-1164 Screening compound: 1-{[1,4'-bipiperidin]-1'-yl}-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one

E613-1164 Screening compound: 1-{[1,4'-bipiperidin]-1'-yl}-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one
E613-1164 Screening compound: 1-{[1,4'-bipiperidin]-1'-yl}-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-1164
1-{[1,4'-bipiperidin]-1'-yl}-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one

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

E613-1164

Molecular Formula

C20H27N3O4 (C20 H27 N3 O4)

Compound Name

1-{[1,4'-bipiperidin]-1'-yl}-2-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy}ethan-1-one

IUPAC name

1-{[14'-bipiperidin]-1'-yl}-2-{[5-(furan-2-yl)-12-oxazol-3-yl]methoxy}ethan-1-one

SMILES

O=C(COCc1noc(-c2ccco2)c1)N(CC1)CCC1N1CCCCC1

InChI

InChI=1S/C20H27N3O4/c24-20(23-10-6-17(7-11-23)22-8-2-1-3-9-22)15-25-14-16-13-19(27-21-16)18-5-4-12-26-18/h4-5,12-13,17H,1-3,6-11,14-15H2

InChI Key

QMPQPPIXCLJDAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14904300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.913

Distribution Coefficient, logD

-1.642

Water Solubility, LogSw

-2.11

Polar Surface Area

58.496

Acid Dissociation Constant (pKa)

21.21

Base Dissociation Constant (pKb)

10.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

E613-1164 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • 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 E613-1164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-1164?
Check Price and Availability of E613-1164, 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 E613-1164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-1164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-1164
  • 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 E613-1164 available by request