F294-0631 Screening compound: 2-[benzyl(butyl)amino]-5-ethanesulfonamidobenzoic acid

F294-0631 Screening compound: 2-[benzyl(butyl)amino]-5-ethanesulfonamidobenzoic acid
F294-0631 Screening compound: 2-[benzyl(butyl)amino]-5-ethanesulfonamidobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F294-0631
2-[benzyl(butyl)amino]-5-ethanesulfonamidobenzoic 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

F294-0631

Molecular Formula

C20H26N2O4S (C20 H26 N2 O4 S)

Compound Name

2-[benzyl(butyl)amino]-5-ethanesulfonamidobenzoic acid

IUPAC name

2-[benzyl(butyl)amino]-5-ethanesulfonamidobenzoic acid

SMILES

CCCCN(Cc1ccccc1)c(ccc(NS(CC)(=O)=O)c1)c1C(O)=O

InChI

InChI=1S/C20H26N2O4S/c1-3-5-13-22(15-16-9-7-6-8-10-16)19-12-11-17(14-18(19)20(23)24)21-27(25,26)4-2/h6-12,14,21H,3-5,13,15H2,1-2H3,(H,23,24)

InChI Key

BMGCBZBXQJMOKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27113365

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

390.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.457

Distribution Coefficient, logD

2.625

Water Solubility, LogSw

-4.05

Polar Surface Area

73.887

Acid Dissociation Constant (pKa)

5.57

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

F294-0631 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with F294-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F294-0631?
Check Price and Availability of F294-0631, 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 F294-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F294-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F294-0631
  • 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 F294-0631 available by request