2829-1450 Screening compound: 8-(4-methoxyphenyl)-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione

2829-1450 Screening compound: 8-(4-methoxyphenyl)-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione
2829-1450 Screening compound: 8-(4-methoxyphenyl)-7,9-dioxa-1-thia-3-azaspiro[4.5]decane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2829-1450
8-(4-methoxyphenyl)-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

2829-1450

Molecular Formula

C13H13NO5S (C13 H13 NO5 S)

Compound Name

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

IUPAC name

8-(4-methoxyphenyl)-79-dioxa-1-thia-3-azaspiro[4.5]decane-24-dione

SMILES

COc1ccc(C(OC2)OCC2(C(N2)=O)SC2=O)cc1

InChI

InChI=1S/C13H13NO5S/c1-17-9-4-2-8(3-5-9)10-18-6-13(7-19-10)11(15)14-12(16)20-13/h2-5,10H,6-7H2,1H3,(H,14,15,16)

InChI Key

UNEMBQYYJFKXBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01039394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.060

Distribution Coefficient, logD

0.787

Water Solubility, LogSw

-2.03

Polar Surface Area

62.864

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

-7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

2829-1450 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 2829-1450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2829-1450?
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What is the minimum amount of 2829-1450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2829-1450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2829-1450
  • 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 2829-1450 available by request