F686-1075 Screening compound: 2-(4-ethoxybenzenesulfonamido)-5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]benzoic acid

F686-1075 Screening compound: 2-(4-ethoxybenzenesulfonamido)-5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]benzoic acid
F686-1075 Screening compound: 2-(4-ethoxybenzenesulfonamido)-5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F686-1075
2-(4-ethoxybenzenesulfonamido)-5-[4-(pyrimidin-2-yl)-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

F686-1075

Molecular Formula

C24H27N5O5S (C24 H27 N5 O5 S)

Compound Name

2-(4-ethoxybenzenesulfonamido)-5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]benzoic acid

IUPAC name

2-(4-ethoxybenzenesulfonamido)-5-[4-(pyrimidin-2-yl)-14-diazepan-1-yl]benzoic acid

SMILES

CCOc(cc1)ccc1S(Nc(ccc(N(CCC1)CCN1c1ncccn1)c1)c1C(O)=O)(=O)=O

InChI

InChI=1S/C24H27N5O5S/c1-2-34-19-6-8-20(9-7-19)35(32,33)27-22-10-5-18(17-21(22)23(30)31)28-13-4-14-29(16-15-28)24-25-11-3-12-26-24/h3,5-12,17,27H,2,4,13-16H2,1H3,(H,30,31)

InChI Key

KNUPLQVHDPELDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14962874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.828

Distribution Coefficient, logD

-0.057

Water Solubility, LogSw

-3.77

Polar Surface Area

101.128

Acid Dissociation Constant (pKa)

2.81

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

F686-1075 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Integrin Receptors Targeted library (1715 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

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Immune system
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F686-1075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F686-1075?
Check Price and Availability of F686-1075, 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 F686-1075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F686-1075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F686-1075
  • 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 F686-1075 available by request