F686-0021 Screening compound: 2-{[(4-bromophenyl)sulfonyl]amino}-5-morpholinobenzoic acid

F686-0021 Screening compound: 2-{[(4-bromophenyl)sulfonyl]amino}-5-morpholinobenzoic acid
F686-0021 Screening compound: 2-{[(4-bromophenyl)sulfonyl]amino}-5-morpholinobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F686-0021
2-{[(4-bromophenyl)sulfonyl]amino}-5-morpholinobenzoic acid

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

F686-0021

Molecular Formula

C17H17BrN2O5S (C17 H17 BrN2 O5 S)

Compound Name

2-{[(4-bromophenyl)sulfonyl]amino}-5-morpholinobenzoic acid

IUPAC name

2-(4-bromobenzenesulfonamido)-5-(morpholin-4-yl)benzoic acid

SMILES

OC(c(cc(cc1)N2CCOCC2)c1NS(c(cc1)ccc1Br)(=O)=O)=O

InChI

InChI=1S/C17H17BrN2O5S/c18-12-1-4-14(5-2-12)26(23,24)19-16-6-3-13(11-15(16)17(21)22)20-7-9-25-10-8-20/h1-6,11,19H,7-10H2,(H,21,22)

InChI Key

WVDMGBFZGYPKAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14962736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.066

Distribution Coefficient, logD

-0.819

Water Solubility, LogSw

-3.47

Polar Surface Area

79.959

Acid Dissociation Constant (pKa)

2.81

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

F686-0021 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F686-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F686-0021?
Check Price and Availability of F686-0021, 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 F686-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F686-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F686-0021
  • 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 F686-0021 available by request