F113-0382 Screening compound: 3-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}-1-(3,4,5-trimethoxyphenyl)urea

F113-0382 Screening compound: 3-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}-1-(3,4,5-trimethoxyphenyl)urea
F113-0382 Screening compound: 3-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}-1-(3,4,5-trimethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F113-0382
3-{2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}-1-(3,4,5-trimethoxyphenyl)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

F113-0382

Molecular Formula

C19H20F3N5O4 (C19 H20 F3 N5 O4)

Compound Name

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

IUPAC name

3-{2-[2-(trifluoromethyl)-3H-imidazo[45-b]pyridin-3-yl]ethyl}-1-(345-trimethoxyphenyl)urea

SMILES

COc1cc(NC(NCCn2c(nccc3)c3nc2C(F)(F)F)=O)cc(OC)c1OC

InChI

InChI=1S/C19H20F3N5O4/c1-29-13-9-11(10-14(30-2)15(13)31-3)25-18(28)24-7-8-27-16-12(5-4-6-23-16)26-17(27)19(20,21)22/h4-6,9-10H,7-8H2,1-3H3,(H2,24,25,28)

InChI Key

IJHAMSAZTDJHPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.447

Distribution Coefficient, logD

2.447

Water Solubility, LogSw

-3.08

Polar Surface Area

76.768

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

F113-0382 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F113-0382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F113-0382?
Check Price and Availability of F113-0382, 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 F113-0382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F113-0382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F113-0382
  • 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 F113-0382 available by request