F686-0819 Screening compound: 5-(azepan-1-yl)-2-[4-(2-methylpropyl)benzenesulfonamido]benzoic acid

F686-0819 Screening compound: 5-(azepan-1-yl)-2-[4-(2-methylpropyl)benzenesulfonamido]benzoic acid
F686-0819 Screening compound: 5-(azepan-1-yl)-2-[4-(2-methylpropyl)benzenesulfonamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F686-0819
5-(azepan-1-yl)-2-[4-(2-methylpropyl)benzenesulfonamido]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

F686-0819

Molecular Formula

C23H30N2O4S (C23 H30 N2 O4 S)

Compound Name

5-(azepan-1-yl)-2-[4-(2-methylpropyl)benzenesulfonamido]benzoic acid

IUPAC name

5-(azepan-1-yl)-2-[4-(2-methylpropyl)benzenesulfonamido]benzoic acid

SMILES

CC(C)Cc(cc1)ccc1S(Nc(ccc(N1CCCCCC1)c1)c1C(O)=O)(=O)=O

InChI

InChI=1S/C23H30N2O4S/c1-17(2)15-18-7-10-20(11-8-18)30(28,29)24-22-12-9-19(16-21(22)23(26)27)25-13-5-3-4-6-14-25/h7-12,16-17,24H,3-6,13-15H2,1-2H3,(H,26,27)

InChI Key

AJSPRLZISXRURI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14962841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.567

Distribution Coefficient, logD

1.682

Water Solubility, LogSw

-5.07

Polar Surface Area

72.382

Acid Dissociation Constant (pKa)

2.81

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

F686-0819 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F686-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F686-0819?
Check Price and Availability of F686-0819, 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 F686-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F686-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F686-0819
  • 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 F686-0819 available by request