G856-4571 Screening compound: 8-[4-(thiophen-2-yl)oxane-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

G856-4571 Screening compound: 8-[4-(thiophen-2-yl)oxane-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane
G856-4571 Screening compound: 8-[4-(thiophen-2-yl)oxane-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-4571
8-[4-(thiophen-2-yl)oxane-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

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

G856-4571

Molecular Formula

C17H23NO4S (C17 H23 NO4 S)

Compound Name

8-[4-(thiophen-2-yl)oxane-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-[4-(thiophen-2-yl)oxane-4-carbonyl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=C(C1(CCOCC1)c1cccs1)N(CC1)CCC11OCCO1

InChI

InChI=1S/C17H23NO4S/c19-15(18-7-3-17(4-8-18)21-11-12-22-17)16(5-9-20-10-6-16)14-2-1-13-23-14/h1-2,13H,3-12H2

InChI Key

PAXQMUHPHXIOIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06406829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.729

Distribution Coefficient, logD

1.729

Water Solubility, LogSw

-2.10

Polar Surface Area

40.171

Acid Dissociation Constant (pKa)

26.68

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.60

G856-4571 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G856-4571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-4571?
Check Price and Availability of G856-4571, 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 G856-4571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-4571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-4571
  • 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 G856-4571 available by request