F113-0400 Screening compound: 1-(4-bromo-3-methylphenyl)-3-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}urea

F113-0400 Screening compound: 1-(4-bromo-3-methylphenyl)-3-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}urea
F113-0400 Screening compound: 1-(4-bromo-3-methylphenyl)-3-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F113-0400
1-(4-bromo-3-methylphenyl)-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

F113-0400

Molecular Formula

C17H15BrF3N5O (C17 H15 BrF3 N5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)NC(NCCn2c3ncccc3nc2C(F)(F)F)=O)c1Br

InChI

InChI=1S/C17H15BrF3N5O/c1-10-9-11(4-5-12(10)18)24-16(27)23-7-8-26-14-13(3-2-6-22-14)25-15(26)17(19,20)21/h2-6,9H,7-8H2,1H3,(H2,23,24,27)

InChI Key

HJHCOTZBCYIOJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.24

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

4.241

Distribution Coefficient, logD

4.241

Water Solubility, LogSw

-4.17

Polar Surface Area

53.790

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

F113-0400 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 F113-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F113-0400?
Check Price and Availability of F113-0400, 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 F113-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F113-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F113-0400
  • 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 F113-0400 available by request