2294-1072 Screening compound: phenyl 2-{2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl}ethane-1-sulfonate

2294-1072 Screening compound: phenyl 2-{2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl}ethane-1-sulfonate
2294-1072 Screening compound: phenyl 2-{2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl}ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2294-1072
phenyl 2-{2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl}ethane-1-sulfonate

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

2294-1072

Molecular Formula

C15H18N2O5S (C15 H18 N2 O5 S)

Compound Name

phenyl 2-{2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl}ethane-1-sulfonate

IUPAC name

phenyl 2-{24-dioxo-13-diazaspiro[4.4]nonan-3-yl}ethane-1-sulfonate

SMILES

O=C(C1(CCCC1)N1)N(CCS(Oc2ccccc2)(=O)=O)C1=O

InChI

InChI=1S/C15H18N2O5S/c18-13-15(8-4-5-9-15)16-14(19)17(13)10-11-23(20,21)22-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,16,19)

InChI Key

ZWKRGWCDZVHOAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00394993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.337

Distribution Coefficient, logD

1.337

Water Solubility, LogSw

-2.20

Polar Surface Area

77.290

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

-7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

2294-1072 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2294-1072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2294-1072?
Check Price and Availability of 2294-1072, 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 2294-1072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2294-1072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2294-1072
  • 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 2294-1072 available by request