C521-0916 Screening compound: N~2~-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-{[(2-methylphenyl)sulfonyl]methyl}-2-furamide

C521-0916 Screening compound: N~2~-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-{[(2-methylphenyl)sulfonyl]methyl}-2-furamide
C521-0916 Screening compound: N~2~-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-{[(2-methylphenyl)sulfonyl]methyl}-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C521-0916
N~2~-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-{[(2-methylphenyl)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

C521-0916

Molecular Formula

C23H23NO6S (C23 H23 NO6 S)

Compound Name

N~2~-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-{[(2-methylphenyl)sulfonyl]methyl}-2-furamide

IUPAC name

n/a

SMILES

CC(c(cc1)cc2c1OCCO2)NC(c1ccc(CS(c2c(C)cccc2)(=O)=O)o1)=O

InChI

InChI=1S/C23H23NO6S/c1-15-5-3-4-6-22(15)31(26,27)14-18-8-10-20(30-18)23(25)24-16(2)17-7-9-19-21(13-17)29-12-11-28-19/h3-10,13,16H,11-12,14H2,1-2H3,(H,24,25)/t16-/m0/s1

InChI Key

DDLJZFAOSJTJLL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14765481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.037

Distribution Coefficient, logD

3.037

Water Solubility, LogSw

-3.35

Polar Surface Area

76.244

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

C521-0916 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with C521-0916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C521-0916?
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What is the minimum amount of C521-0916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C521-0916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C521-0916
  • 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 C521-0916 available by request