C521-0131 Screening compound: 8-{5-[(4-methylbenzenesulfonyl)methyl]furan-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

C521-0131 Screening compound: 8-{5-[(4-methylbenzenesulfonyl)methyl]furan-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
C521-0131 Screening compound: 8-{5-[(4-methylbenzenesulfonyl)methyl]furan-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound C521-0131
8-{5-[(4-methylbenzenesulfonyl)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

C521-0131

Molecular Formula

C20H23NO6S (C20 H23 NO6 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H23NO6S/c1-15-2-5-17(6-3-15)28(23,24)14-16-4-7-18(27-16)19(22)21-10-8-20(9-11-21)25-12-13-26-20/h2-7H,8-14H2,1H3

InChI Key

BOUZPSZSCRIVIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10058324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.140

Distribution Coefficient, logD

2.140

Water Solubility, LogSw

-2.49

Polar Surface Area

67.930

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

C521-0131 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 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 C521-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C521-0131?
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What is the minimum amount of C521-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C521-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C521-0131
  • 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 C521-0131 available by request