F421-0127 Screening compound: ethyl 5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-1H-pyrazole-4-carboxylate

F421-0127 Screening compound: ethyl 5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-1H-pyrazole-4-carboxylate
F421-0127 Screening compound: ethyl 5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F421-0127
ethyl 5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-1H-pyrazole-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

F421-0127

Molecular Formula

C13H19N3O6S (C13 H19 N3 O6 S)

Compound Name

ethyl 5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-1H-pyrazole-4-carboxylate

IUPAC name

ethyl 5-{14-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-1H-pyrazole-4-carboxylate

SMILES

CCOC(c(cn[nH]1)c1S(N(CC1)CCC11OCCO1)(=O)=O)=O

InChI

InChI=1S/C13H19N3O6S/c1-2-20-12(17)10-9-14-15-11(10)23(18,19)16-5-3-13(4-6-16)21-7-8-22-13/h9H,2-8H2,1H3,(H,14,15)

InChI Key

VJWAVTLSZMHPDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11996206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.760

Distribution Coefficient, logD

0.547

Water Solubility, LogSw

-2.03

Polar Surface Area

91.376

Acid Dissociation Constant (pKa)

7.60

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.20

F421-0127 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F421-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F421-0127?
Check Price and Availability of F421-0127, 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 F421-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F421-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F421-0127
  • 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 F421-0127 available by request