F872-0536 Screening compound: N-[2-(3-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

F872-0536 Screening compound: N-[2-(3-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
F872-0536 Screening compound: N-[2-(3-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F872-0536
N-[2-(3-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)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

F872-0536

Molecular Formula

C22H25N5O3 (C22 H25 N5 O3)

Compound Name

N-[2-(3-cyclopentyl-3H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

IUPAC name

3-(2-{3-cyclopentyl-3H-imidazo[45-b]pyridin-2-yl}ethyl)-1-(23-dihydro-14-benzodioxin-6-yl)urea

SMILES

O=C(NCCc(n1C2CCCC2)nc2c1nccc2)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C22H25N5O3/c28-22(25-15-7-8-18-19(14-15)30-13-12-29-18)24-11-9-20-26-17-6-3-10-23-21(17)27(20)16-4-1-2-5-16/h3,6-8,10,14,16H,1-2,4-5,9,11-13H2,(H2,24,25,28)

InChI Key

NSVPIPXDWHKGGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14969622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.168

Distribution Coefficient, logD

2.168

Water Solubility, LogSw

-2.89

Polar Surface Area

71.282

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

F872-0536 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with F872-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F872-0536?
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What is the minimum amount of F872-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F872-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F872-0536
  • 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 F872-0536 available by request