3172-0607 Screening compound: butyl 4-{[3-(4-chlorobenzenesulfonamido)-7-methylquinoxalin-2-yl]amino}benzoate

3172-0607 Screening compound: butyl 4-{[3-(4-chlorobenzenesulfonamido)-7-methylquinoxalin-2-yl]amino}benzoate
3172-0607 Screening compound: butyl 4-{[3-(4-chlorobenzenesulfonamido)-7-methylquinoxalin-2-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3172-0607
butyl 4-{[3-(4-chlorobenzenesulfonamido)-7-methylquinoxalin-2-yl]amino}benzoate

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

3172-0607

Molecular Formula

C26H25ClN4O4S (C26 H25 ClN4 O4 S)

Compound Name

butyl 4-{[3-(4-chlorobenzenesulfonamido)-7-methylquinoxalin-2-yl]amino}benzoate

IUPAC name

butyl 4-{[3-(4-chlorobenzenesulfonamido)-7-methylquinoxalin-2-yl]amino}benzoate

SMILES

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

InChI

InChI=1S/C26H25ClN4O4S/c1-3-4-15-35-26(32)18-6-10-20(11-7-18)28-24-25(29-22-14-5-17(2)16-23(22)30-24)31-36(33,34)21-12-8-19(27)9-13-21/h5-14,16H,3-4,15H2,1-2H3,(H,28,30)(H,29,31)

InChI Key

BCCHDJPOFRDWIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02926836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.03

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

7.239

Distribution Coefficient, logD

5.694

Water Solubility, LogSw

-6.39

Polar Surface Area

89.061

Acid Dissociation Constant (pKa)

5.87

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

3172-0607 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3172-0607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3172-0607?
Check Price and Availability of 3172-0607, 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 3172-0607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3172-0607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3172-0607
  • 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 3172-0607 available by request