8009-1416 Screening compound: 2-({[(4-sulfamoylphenyl)carbamoyl]methyl}sulfanyl)ethyl furan-2-carboxylate

8009-1416 Screening compound: 2-({[(4-sulfamoylphenyl)carbamoyl]methyl}sulfanyl)ethyl furan-2-carboxylate
8009-1416 Screening compound: 2-({[(4-sulfamoylphenyl)carbamoyl]methyl}sulfanyl)ethyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1416
2-({[(4-sulfamoylphenyl)carbamoyl]methyl}sulfanyl)ethyl furan-2-carboxylate

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

8009-1416

Molecular Formula

C15H16N2O6S2 (C15 H16 N2 O6 S2)

Compound Name

2-({[(4-sulfamoylphenyl)carbamoyl]methyl}sulfanyl)ethyl furan-2-carboxylate

IUPAC name

2-({[(4-sulfamoylphenyl)carbamoyl]methyl}sulfanyl)ethyl furan-2-carboxylate

SMILES

NS(c(cc1)ccc1NC(CSCCOC(c1ccco1)=O)=O)(=O)=O

InChI

InChI=1S/C15H16N2O6S2/c16-25(20,21)12-5-3-11(4-6-12)17-14(18)10-24-9-8-23-15(19)13-2-1-7-22-13/h1-7H,8-10H2,(H,17,18)(H2,16,20,21)

InChI Key

TUHBESJONMRCPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01461501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.43

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.905

Distribution Coefficient, logD

0.904

Water Solubility, LogSw

-1.87

Polar Surface Area

103.346

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8009-1416 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-1416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-1416?
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What is the minimum amount of 8009-1416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1416
  • 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 8009-1416 available by request