F113-0393 Screening compound: methyl 4-[({2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}carbamoyl)amino]benzoate

F113-0393 Screening compound: methyl 4-[({2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}carbamoyl)amino]benzoate
F113-0393 Screening compound: methyl 4-[({2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}carbamoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F113-0393
methyl 4-[({2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}carbamoyl)amino]benzoate

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

F113-0393

Molecular Formula

C18H16F3N5O3 (C18 H16 F3 N5 O3)

Compound Name

methyl 4-[({2-[2-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}carbamoyl)amino]benzoate

IUPAC name

methyl 4-[({2-[2-(trifluoromethyl)-3H-imidazo[45-b]pyridin-3-yl]ethyl}carbamoyl)amino]benzoate

SMILES

COC(c(cc1)ccc1NC(NCCn1c(nccc2)c2nc1C(F)(F)F)=O)=O

InChI

InChI=1S/C18H16F3N5O3/c1-29-15(27)11-4-6-12(7-5-11)24-17(28)23-9-10-26-14-13(3-2-8-22-14)25-16(26)18(19,20)21/h2-8H,9-10H2,1H3,(H2,23,24,28)

InChI Key

GCLNURYGSVVFRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.157

Distribution Coefficient, logD

3.157

Water Solubility, LogSw

-3.39

Polar Surface Area

74.964

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

F113-0393 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Immunological Library (6760 compounds)

SH2 Library (10483 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Immune system
  • Cancer
  • Endocrine
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F113-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F113-0393?
Check Price and Availability of F113-0393, 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 F113-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F113-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F113-0393
  • 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 F113-0393 available by request