F113-0347 Screening compound: 1-(4-ethylphenyl)-3-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}urea

F113-0347 Screening compound: 1-(4-ethylphenyl)-3-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}urea
F113-0347 Screening compound: 1-(4-ethylphenyl)-3-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F113-0347
1-(4-ethylphenyl)-3-{2-[2-(trifluoromethyl)-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

F113-0347

Molecular Formula

C18H18F3N5O (C18 H18 F3 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1NC(NCCn1c(nccc2)c2nc1C(F)(F)F)=O

InChI

InChI=1S/C18H18F3N5O/c1-2-12-5-7-13(8-6-12)24-17(27)23-10-11-26-15-14(4-3-9-22-15)25-16(26)18(19,20)21/h3-9H,2,10-11H2,1H3,(H2,23,24,27)

InChI Key

XVZSAXLXYZMZKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27642641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.37

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

3.997

Distribution Coefficient, logD

3.997

Water Solubility, LogSw

-3.91

Polar Surface Area

53.790

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

F113-0347 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 F113-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F113-0347?
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What is the minimum amount of F113-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F113-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F113-0347
  • 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 F113-0347 available by request