F686-0744 Screening compound: 2-(5-chloro-2-methoxybenzenesulfonamido)-5-(4-methyl-1,4-diazepan-1-yl)benzoic acid

F686-0744 Screening compound: 2-(5-chloro-2-methoxybenzenesulfonamido)-5-(4-methyl-1,4-diazepan-1-yl)benzoic acid
F686-0744 Screening compound: 2-(5-chloro-2-methoxybenzenesulfonamido)-5-(4-methyl-1,4-diazepan-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F686-0744
2-(5-chloro-2-methoxybenzenesulfonamido)-5-(4-methyl-1,4-diazepan-1-yl)benzoic 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

F686-0744

Molecular Formula

C20H24ClN3O5S (C20 H24 ClN3 O5 S)

Compound Name

2-(5-chloro-2-methoxybenzenesulfonamido)-5-(4-methyl-1,4-diazepan-1-yl)benzoic acid

IUPAC name

2-(5-chloro-2-methoxybenzenesulfonamido)-5-(4-methyl-14-diazepan-1-yl)benzoic acid

SMILES

CN(CCC1)CCN1c(cc1)cc(C(O)=O)c1NS(c(cc(cc1)Cl)c1OC)(=O)=O

InChI

InChI=1S/C20H24ClN3O5S/c1-23-8-3-9-24(11-10-23)15-5-6-17(16(13-15)20(25)26)22-30(27,28)19-12-14(21)4-7-18(19)29-2/h4-7,12-13,22H,3,8-11H2,1-2H3,(H,25,26)

InChI Key

WDSURPBTWYPMNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14962833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.708

Distribution Coefficient, logD

2.708

Water Solubility, LogSw

-3.46

Polar Surface Area

83.489

Acid Dissociation Constant (pKa)

2.81

Base Dissociation Constant (pKb)

7.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

F686-0744 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F686-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F686-0744?
Check Price and Availability of F686-0744, 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 F686-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F686-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F686-0744
  • 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 F686-0744 available by request