C521-1082 Screening compound: 5-[(2-methoxybenzenesulfonyl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide

C521-1082 Screening compound: 5-[(2-methoxybenzenesulfonyl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
C521-1082 Screening compound: 5-[(2-methoxybenzenesulfonyl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C521-1082
5-[(2-methoxybenzenesulfonyl)methyl]-N-[(2-methoxyphenyl)methyl]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

C521-1082

Molecular Formula

C21H21NO6S (C21 H21 NO6 S)

Compound Name

5-[(2-methoxybenzenesulfonyl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide

IUPAC name

5-[(2-methoxybenzenesulfonyl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide

SMILES

COc1c(CNC(c2ccc(CS(c(cccc3)c3OC)(=O)=O)o2)=O)cccc1

InChI

InChI=1S/C21H21NO6S/c1-26-17-8-4-3-7-15(17)13-22-21(23)19-12-11-16(28-19)14-29(24,25)20-10-6-5-9-18(20)27-2/h3-12H,13-14H2,1-2H3,(H,22,23)

InChI Key

WMTKBUGJFUWMCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.202

Distribution Coefficient, logD

3.202

Water Solubility, LogSw

-3.50

Polar Surface Area

76.519

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C521-1082 in Drug Discovery

Included in Screening Libraries

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 C521-1082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C521-1082?
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What is the minimum amount of C521-1082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C521-1082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C521-1082
  • 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 C521-1082 available by request