F295-0069 Screening compound: 4-[butyl(methyl)amino]-3-(2,4,6-trimethylbenzenesulfonamido)benzoic acid

F295-0069 Screening compound: 4-[butyl(methyl)amino]-3-(2,4,6-trimethylbenzenesulfonamido)benzoic acid
F295-0069 Screening compound: 4-[butyl(methyl)amino]-3-(2,4,6-trimethylbenzenesulfonamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F295-0069
4-[butyl(methyl)amino]-3-(2,4,6-trimethylbenzenesulfonamido)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

F295-0069

Molecular Formula

C21H28N2O4S (C21 H28 N2 O4 S)

Compound Name

4-[butyl(methyl)amino]-3-(2,4,6-trimethylbenzenesulfonamido)benzoic acid

IUPAC name

4-[butyl(methyl)amino]-3-(246-trimethylbenzenesulfonamido)benzoic acid

SMILES

CCCCN(C)c(ccc(C(O)=O)c1)c1NS(c1c(C)cc(C)cc1C)(=O)=O

InChI

InChI=1S/C21H28N2O4S/c1-6-7-10-23(5)19-9-8-17(21(24)25)13-18(19)22-28(26,27)20-15(3)11-14(2)12-16(20)4/h8-9,11-13,22H,6-7,10H2,1-5H3,(H,24,25)

InChI Key

CJANWFCFSJYMGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27113550

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

404.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.367

Distribution Coefficient, logD

1.204

Water Solubility, LogSw

-5.09

Polar Surface Area

71.502

Acid Dissociation Constant (pKa)

3.24

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

F295-0069 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SH2 Library (10483 compounds)

Neuropeptide S Library (2850 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Endocrine
  • Digestive system
  • Nervous system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Nuclear receptors
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F295-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F295-0069?
Check Price and Availability of F295-0069, 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 F295-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F295-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F295-0069
  • 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 F295-0069 available by request