3030-2313 Screening compound: 8-(3-nitrophenyl)-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione

3030-2313 Screening compound: 8-(3-nitrophenyl)-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione
3030-2313 Screening compound: 8-(3-nitrophenyl)-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3030-2313
8-(3-nitrophenyl)-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione

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

3030-2313

Molecular Formula

C12H10N2O6S (C12 H10 N2 O6 S)

Compound Name

8-(3-nitrophenyl)-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione

IUPAC name

8-(3-nitrophenyl)-79-dioxa-1-thia-3-azaspiro[4.5]decane-24-dione

SMILES

[O-][N+](c1cccc(C(OC2)OCC2(C(N2)=O)SC2=O)c1)=O

InChI

InChI=1S/C12H10N2O6S/c15-10-12(21-11(16)13-10)5-19-9(20-6-12)7-2-1-3-8(4-7)14(17)18/h1-4,9H,5-6H2,(H,13,15,16)

InChI Key

UXILJLKYQVUAKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01647537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.29

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.950

Distribution Coefficient, logD

0.677

Water Solubility, LogSw

-2.46

Polar Surface Area

88.702

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

-7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3030-2313 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3030-2313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3030-2313?
Check Price and Availability of 3030-2313, 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 3030-2313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3030-2313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3030-2313
  • 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 3030-2313 available by request