F112-0125 Screening compound: 3-methyl-N-[4-({2-[2-(4-methylphenyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}sulfamoyl)phenyl]butanamide

F112-0125 Screening compound: 3-methyl-N-[4-({2-[2-(4-methylphenyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}sulfamoyl)phenyl]butanamide
F112-0125 Screening compound: 3-methyl-N-[4-({2-[2-(4-methylphenyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}sulfamoyl)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F112-0125
3-methyl-N-[4-({2-[2-(4-methylphenyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}sulfamoyl)phenyl]butanamide

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

F112-0125

Molecular Formula

C26H29N5O3S (C26 H29 N5 O3 S)

Compound Name

3-methyl-N-[4-({2-[2-(4-methylphenyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}sulfamoyl)phenyl]butanamide

IUPAC name

3-methyl-N-[4-({2-[2-(4-methylphenyl)-3H-imidazo[45-b]pyridin-3-yl]ethyl}sulfamoyl)phenyl]butanamide

SMILES

CC(C)CC(Nc(cc1)ccc1S(NCCn1c(-c2ccc(C)cc2)nc2cccnc12)(=O)=O)=O

InChI

InChI=1S/C26H29N5O3S/c1-18(2)17-24(32)29-21-10-12-22(13-11-21)35(33,34)28-15-16-31-25(20-8-6-19(3)7-9-20)30-23-5-4-14-27-26(23)31/h4-14,18,28H,15-17H2,1-3H3,(H,29,32)

InChI Key

GCNBKFDEIPUMST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14941529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

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

5.116

Distribution Coefficient, logD

5.115

Water Solubility, LogSw

-4.79

Polar Surface Area

84.801

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

F112-0125 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

GABA Library (7115 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Eye
Targets:
  • Proteases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F112-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F112-0125?
Check Price and Availability of F112-0125, 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 F112-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F112-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F112-0125
  • 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 F112-0125 available by request