F872-0031 Screening compound: 3-(2-{3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}ethyl)-1-(4-ethoxyphenyl)urea

F872-0031 Screening compound: 3-(2-{3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}ethyl)-1-(4-ethoxyphenyl)urea
F872-0031 Screening compound: 3-(2-{3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}ethyl)-1-(4-ethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F872-0031
3-(2-{3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}ethyl)-1-(4-ethoxyphenyl)urea

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

F872-0031

Molecular Formula

C24H25N5O2 (C24 H25 N5 O2)

Compound Name

3-(2-{3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl}ethyl)-1-(4-ethoxyphenyl)urea

IUPAC name

3-(2-{3-benzyl-3H-imidazo[45-b]pyridin-2-yl}ethyl)-1-(4-ethoxyphenyl)urea

SMILES

CCOc(cc1)ccc1NC(NCCc(n1Cc2ccccc2)nc2c1nccc2)=O

InChI

InChI=1S/C24H25N5O2/c1-2-31-20-12-10-19(11-13-20)27-24(30)26-16-14-22-28-21-9-6-15-25-23(21)29(22)17-18-7-4-3-5-8-18/h3-13,15H,2,14,16-17H2,1H3,(H2,26,27,30)

InChI Key

SQBFBXFOOYIBRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27201153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.019

Distribution Coefficient, logD

4.019

Water Solubility, LogSw

-3.98

Polar Surface Area

61.640

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

F872-0031 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Epigenetics Focused Set (26518 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with F872-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F872-0031?
Check Price and Availability of F872-0031, 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 F872-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F872-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F872-0031
  • 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 F872-0031 available by request