C521-0966 Screening compound: N~2~-(1,3-benzodioxol-5-ylmethyl)-5-{[(2-ethylphenyl)sulfonyl]methyl}-2-furamide

C521-0966 Screening compound: N~2~-(1,3-benzodioxol-5-ylmethyl)-5-{[(2-ethylphenyl)sulfonyl]methyl}-2-furamide
C521-0966 Screening compound: N~2~-(1,3-benzodioxol-5-ylmethyl)-5-{[(2-ethylphenyl)sulfonyl]methyl}-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C521-0966
N~2~-(1,3-benzodioxol-5-ylmethyl)-5-{[(2-ethylphenyl)sulfonyl]methyl}-2-furamide

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

C521-0966

Molecular Formula

C22H21NO6S (C22 H21 NO6 S)

Compound Name

N~2~-(1,3-benzodioxol-5-ylmethyl)-5-{[(2-ethylphenyl)sulfonyl]methyl}-2-furamide

IUPAC name

n/a

SMILES

CCc(cccc1)c1S(Cc1ccc(C(NCc(cc2)cc3c2OCO3)=O)o1)(=O)=O

InChI

InChI=1S/C22H21NO6S/c1-2-16-5-3-4-6-21(16)30(25,26)13-17-8-10-19(29-17)22(24)23-12-15-7-9-18-20(11-15)28-14-27-18/h3-11H,2,12-14H2,1H3,(H,23,24)

InChI Key

ARGDMLJTFIVXSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.807

Distribution Coefficient, logD

3.807

Water Solubility, LogSw

-3.80

Polar Surface Area

78.373

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C521-0966 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C521-0966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C521-0966?
Check Price and Availability of C521-0966, 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 C521-0966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C521-0966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C521-0966
  • 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 C521-0966 available by request