5228-4969 Screening compound: ethyl 1-{[2-(furan-2-amido)-4,5-dimethylthiophen-3-yl](pyridin-3-yl)methyl}piperidine-4-carboxylate

5228-4969 Screening compound: ethyl 1-{[2-(furan-2-amido)-4,5-dimethylthiophen-3-yl](pyridin-3-yl)methyl}piperidine-4-carboxylate
5228-4969 Screening compound: ethyl 1-{[2-(furan-2-amido)-4,5-dimethylthiophen-3-yl](pyridin-3-yl)methyl}piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5228-4969
ethyl 1-{[2-(furan-2-amido)-4,5-dimethylthiophen-3-yl](pyridin-3-yl)methyl}piperidine-4-carboxylate

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

5228-4969

Molecular Formula

C25H29N3O4S (C25 H29 N3 O4 S)

Compound Name

ethyl 1-{[2-(furan-2-amido)-4,5-dimethylthiophen-3-yl](pyridin-3-yl)methyl}piperidine-4-carboxylate

IUPAC name

ethyl 1-{[2-(furan-2-amido)-45-dimethylthiophen-3-yl](pyridin-3-yl)methyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(c1c(NC(c2ccco2)=O)sc(C)c1C)c1cnccc1)=O

InChI

InChI=1S/C25H29N3O4S/c1-4-31-25(30)18-9-12-28(13-10-18)22(19-7-5-11-26-15-19)21-16(2)17(3)33-24(21)27-23(29)20-8-6-14-32-20/h5-8,11,14-15,18,22H,4,9-10,12-13H2,1-3H3,(H,27,29)/t22-/m1/s1

InChI Key

FYETUTFFCYTDPF-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04440883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.981

Distribution Coefficient, logD

3.059

Water Solubility, LogSw

-3.62

Polar Surface Area

64.727

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

5228-4969 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 5228-4969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5228-4969?
Check Price and Availability of 5228-4969, 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 5228-4969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5228-4969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5228-4969
  • 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 5228-4969 available by request