C521-0517 Screening compound: 8-{5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

C521-0517 Screening compound: 8-{5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
C521-0517 Screening compound: 8-{5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound C521-0517
8-{5-[(4-methoxybenzenesulfonyl)methyl]furan-2-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

C521-0517

Molecular Formula

C20H23NO7S (C20 H23 NO7 S)

Compound Name

8-{5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carbonyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

COc(cc1)ccc1S(Cc1ccc(C(N(CC2)CCC22OCCO2)=O)o1)(=O)=O

InChI

InChI=1S/C20H23NO7S/c1-25-15-2-5-17(6-3-15)29(23,24)14-16-4-7-18(28-16)19(22)21-10-8-20(9-11-21)26-12-13-27-20/h2-7H,8-14H2,1H3

InChI Key

CPLJDXCAOCFSJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.699

Distribution Coefficient, logD

1.699

Water Solubility, LogSw

-2.37

Polar Surface Area

75.473

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

C521-0517 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C521-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C521-0517?
Check Price and Availability of C521-0517, 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 C521-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C521-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C521-0517
  • 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 C521-0517 available by request