F113-0684 Screening compound: 1-(3,5-dimethylphenyl)-3-{2-[2-(pyridin-4-yl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}urea

F113-0684 Screening compound: 1-(3,5-dimethylphenyl)-3-{2-[2-(pyridin-4-yl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}urea
F113-0684 Screening compound: 1-(3,5-dimethylphenyl)-3-{2-[2-(pyridin-4-yl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F113-0684
1-(3,5-dimethylphenyl)-3-{2-[2-(pyridin-4-yl)-3H-imidazo[4,5-b]pyridin-3-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

F113-0684

Molecular Formula

C22H22N6O (C22 H22 N6 O)

Compound Name

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

IUPAC name

1-(35-dimethylphenyl)-3-{2-[2-(pyridin-4-yl)-3H-imidazo[45-b]pyridin-3-yl]ethyl}urea

SMILES

Cc1cc(NC(NCCn2c(-c3ccncc3)nc3cccnc23)=O)cc(C)c1

InChI

InChI=1S/C22H22N6O/c1-15-12-16(2)14-18(13-15)26-22(29)25-10-11-28-20(17-5-8-23-9-6-17)27-19-4-3-7-24-21(19)28/h3-9,12-14H,10-11H2,1-2H3,(H2,25,26,29)

InChI Key

GZBKFKZULOVHBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.551

Distribution Coefficient, logD

3.550

Water Solubility, LogSw

-3.46

Polar Surface Area

62.947

Acid Dissociation Constant (pKa)

13.81

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F113-0684 in Drug Discovery

Included in Screening Libraries

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 F113-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F113-0684?
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What is the minimum amount of F113-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F113-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F113-0684
  • 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 F113-0684 available by request