C521-0545 Screening compound: N-(2,2-dimethoxyethyl)-5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carboxamide

C521-0545 Screening compound: N-(2,2-dimethoxyethyl)-5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carboxamide
C521-0545 Screening compound: N-(2,2-dimethoxyethyl)-5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C521-0545
N-(2,2-dimethoxyethyl)-5-[(4-methoxybenzenesulfonyl)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

C521-0545

Molecular Formula

C17H21NO7S (C17 H21 NO7 S)

Compound Name

N-(2,2-dimethoxyethyl)-5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carboxamide

IUPAC name

N-(22-dimethoxyethyl)-5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carboxamide

SMILES

COC(CNC(c1ccc(CS(c(cc2)ccc2OC)(=O)=O)o1)=O)OC

InChI

InChI=1S/C17H21NO7S/c1-22-12-4-7-14(8-5-12)26(20,21)11-13-6-9-15(25-13)17(19)18-10-16(23-2)24-3/h4-9,16H,10-11H2,1-3H3,(H,18,19)

InChI Key

YNXUZYLOWIHBMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.021

Distribution Coefficient, logD

1.021

Water Solubility, LogSw

-2.14

Polar Surface Area

84.568

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C521-0545 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C521-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C521-0545?
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What is the minimum amount of C521-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C521-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C521-0545
  • 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 C521-0545 available by request