E535-4926 Screening compound: 8-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane

E535-4926 Screening compound: 8-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane
E535-4926 Screening compound: 8-(5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound E535-4926
8-(5-{[(4-methylphenyl)methanesulfinyl]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

E535-4926

Molecular Formula

C21H25NO5S (C21 H25 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CS(Cc2ccc(C(N(CC3)CCC33OCCO3)=O)o2)=O)cc1

InChI

InChI=1S/C21H27NO5S/c1-16-2-4-17(5-3-16)14-28(24)15-18-6-7-19(27-18)20(23)22-10-8-21(9-11-22)25-12-13-26-21/h2-7H,8-15,28H2,1H3

InChI Key

VIXPCIMXSCTDLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.009

Distribution Coefficient, logD

2.009

Water Solubility, LogSw

-2.32

Polar Surface Area

53.937

Acid Dissociation Constant (pKa)

24.28

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

E535-4926 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E535-4926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E535-4926?
Check Price and Availability of E535-4926, 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 E535-4926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E535-4926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E535-4926
  • 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 E535-4926 available by request