F686-1417 Screening compound: 5-[[2-(diethylamino)-2-oxoethyl](methyl)amino]-2-[(mesitylsulfonyl)amino]benzoic acid

F686-1417 Screening compound: 5-[[2-(diethylamino)-2-oxoethyl](methyl)amino]-2-[(mesitylsulfonyl)amino]benzoic acid
F686-1417 Screening compound: 5-[[2-(diethylamino)-2-oxoethyl](methyl)amino]-2-[(mesitylsulfonyl)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F686-1417
5-[[2-(diethylamino)-2-oxoethyl](methyl)amino]-2-[(mesitylsulfonyl)amino]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

F686-1417

Molecular Formula

C23H31N3O5S (C23 H31 N3 O5 S)

Compound Name

5-[[2-(diethylamino)-2-oxoethyl](methyl)amino]-2-[(mesitylsulfonyl)amino]benzoic acid

IUPAC name

5-{[(diethylcarbamoyl)methyl](methyl)amino}-2-(246-trimethylbenzenesulfonamido)benzoic acid

SMILES

CCN(CC)C(CN(C)c(cc1)cc(C(O)=O)c1NS(c1c(C)cc(C)cc1C)(=O)=O)=O

InChI

InChI=1S/C23H31N3O5S/c1-7-26(8-2)21(27)14-25(6)18-9-10-20(19(13-18)23(28)29)24-32(30,31)22-16(4)11-15(3)12-17(22)5/h9-13,24H,7-8,14H2,1-6H3,(H,28,29)

InChI Key

WAUUGHLCRIWNHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14962906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.864

Distribution Coefficient, logD

-0.021

Water Solubility, LogSw

-3.75

Polar Surface Area

87.229

Acid Dissociation Constant (pKa)

2.81

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

F686-1417 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 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 F686-1417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F686-1417?
Check Price and Availability of F686-1417, 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 F686-1417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F686-1417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F686-1417
  • 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 F686-1417 available by request