F113-0060 Screening compound: 3-{2-[2-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}-1-[(4-methylphenyl)methyl]urea

F113-0060 Screening compound: 3-{2-[2-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}-1-[(4-methylphenyl)methyl]urea
F113-0060 Screening compound: 3-{2-[2-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}-1-[(4-methylphenyl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F113-0060
3-{2-[2-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}-1-[(4-methylphenyl)methyl]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

F113-0060

Molecular Formula

C23H22FN5O (C23 H22 FN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(NCCn2c(-c(cc3)ccc3F)nc3c2nccc3)=O)cc1

InChI

InChI=1S/C23H22FN5O/c1-16-4-6-17(7-5-16)15-27-23(30)26-13-14-29-21(18-8-10-19(24)11-9-18)28-20-3-2-12-25-22(20)29/h2-12H,13-15H2,1H3,(H2,26,27,30)

InChI Key

MEFLNSQTAJIHCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.808

Distribution Coefficient, logD

3.808

Water Solubility, LogSw

-3.86

Polar Surface Area

54.841

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

F113-0060 in Drug Discovery

Included in Screening Libraries

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 F113-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F113-0060?
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What is the minimum amount of F113-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F113-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F113-0060
  • 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 F113-0060 available by request