4412-0414 Screening compound: N-{3-[(4-butylphenyl)amino]-6-methylquinoxalin-2-yl}-4-chlorobenzene-1-sulfonamide

4412-0414 Screening compound: N-{3-[(4-butylphenyl)amino]-6-methylquinoxalin-2-yl}-4-chlorobenzene-1-sulfonamide
4412-0414 Screening compound: N-{3-[(4-butylphenyl)amino]-6-methylquinoxalin-2-yl}-4-chlorobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4412-0414
N-{3-[(4-butylphenyl)amino]-6-methylquinoxalin-2-yl}-4-chlorobenzene-1-sulfonamide

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

4412-0414

Molecular Formula

C25H25ClN4O2S (C25 H25 ClN4 O2 S)

Compound Name

N-{3-[(4-butylphenyl)amino]-6-methylquinoxalin-2-yl}-4-chlorobenzene-1-sulfonamide

IUPAC name

N-{3-[(4-butylphenyl)amino]-6-methylquinoxalin-2-yl}-4-chlorobenzene-1-sulfonamide

SMILES

CCCCc(cc1)ccc1Nc1nc2cc(C)ccc2nc1NS(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C25H25ClN4O2S/c1-3-4-5-18-7-11-20(12-8-18)27-24-25(28-22-15-6-17(2)16-23(22)29-24)30-33(31,32)21-13-9-19(26)10-14-21/h6-16H,3-5H2,1-2H3,(H,27,29)(H,28,30)

InChI Key

WTTPPJPFCGDXDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.623

Distribution Coefficient, logD

6.077

Water Solubility, LogSw

-6.44

Polar Surface Area

68.013

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4412-0414 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4412-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4412-0414?
Check Price and Availability of 4412-0414, 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 4412-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4412-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4412-0414
  • 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 4412-0414 available by request