F872-0411 Screening compound: 1-(4-bromo-2-fluorophenyl)-3-(2-{3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl}ethyl)urea

F872-0411 Screening compound: 1-(4-bromo-2-fluorophenyl)-3-(2-{3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl}ethyl)urea
F872-0411 Screening compound: 1-(4-bromo-2-fluorophenyl)-3-(2-{3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl}ethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F872-0411
1-(4-bromo-2-fluorophenyl)-3-(2-{3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl}ethyl)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

F872-0411

Molecular Formula

C21H17BrFN5O (C21 H17 BrFN5 O)

Compound Name

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

IUPAC name

1-(4-bromo-2-fluorophenyl)-3-(2-{3-phenyl-3H-imidazo[45-b]pyridin-2-yl}ethyl)urea

SMILES

O=C(NCCc(n1-c2ccccc2)nc2c1nccc2)Nc(ccc(Br)c1)c1F

InChI

InChI=1S/C21H17BrFN5O/c22-14-8-9-17(16(23)13-14)27-21(29)25-12-10-19-26-18-7-4-11-24-20(18)28(19)15-5-2-1-3-6-15/h1-9,11,13H,10,12H2,(H2,25,27,29)

InChI Key

KWTHNRUDOBFNPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14969579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.004

Distribution Coefficient, logD

4.003

Water Solubility, LogSw

-4.32

Polar Surface Area

54.562

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

F872-0411 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 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 F872-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F872-0411?
Check Price and Availability of F872-0411, 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 F872-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F872-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F872-0411
  • 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 F872-0411 available by request