C520-0363 Screening compound: 5-[(4-bromobenzenesulfinyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide

C520-0363 Screening compound: 5-[(4-bromobenzenesulfinyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
C520-0363 Screening compound: 5-[(4-bromobenzenesulfinyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C520-0363
5-[(4-bromobenzenesulfinyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide

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

C520-0363

Molecular Formula

C22H22BrNO5S (C22 H22 BrNO5 S)

Compound Name

5-[(4-bromobenzenesulfinyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide

IUPAC name

5-[(4-bromobenzenesulfinyl)methyl]-N-[2-(34-dimethoxyphenyl)ethyl]furan-2-carboxamide

SMILES

COc(ccc(CCNC(c1ccc(CS(c(cc2)ccc2Br)=O)o1)=O)c1)c1OC

InChI

InChI=1S/C22H24BrNO5S/c1-27-19-9-3-15(13-21(19)28-2)11-12-24-22(25)20-10-6-17(29-20)14-30(26)18-7-4-16(23)5-8-18/h3-10,13H,11-12,14,30H2,1-2H3,(H,24,25)

InChI Key

ZPRLWFWFPYZJGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.576

Distribution Coefficient, logD

3.576

Water Solubility, LogSw

-3.85

Polar Surface Area

62.736

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C520-0363 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C520-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C520-0363?
Check Price and Availability of C520-0363, 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 C520-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C520-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C520-0363
  • 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 C520-0363 available by request