F113-0027 Screening compound: 1,4-dimethyl 2-[({2-[2-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}carbamoyl)amino]benzene-1,4-dicarboxylate

F113-0027 Screening compound: 1,4-dimethyl 2-[({2-[2-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}carbamoyl)amino]benzene-1,4-dicarboxylate
F113-0027 Screening compound: 1,4-dimethyl 2-[({2-[2-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}carbamoyl)amino]benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F113-0027
1,4-dimethyl 2-[({2-[2-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}carbamoyl)amino]benzene-1,4-dicarboxylate

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

F113-0027

Molecular Formula

C25H22FN5O5 (C25 H22 FN5 O5)

Compound Name

1,4-dimethyl 2-[({2-[2-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-3-yl]ethyl}carbamoyl)amino]benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-[({2-[2-(4-fluorophenyl)-3H-imidazo[45-b]pyridin-3-yl]ethyl}carbamoyl)amino]benzene-14-dicarboxylate

SMILES

COC(c(cc1)cc(NC(NCCn2c(-c(cc3)ccc3F)nc3c2nccc3)=O)c1C(OC)=O)=O

InChI

InChI=1S/C25H22FN5O5/c1-35-23(32)16-7-10-18(24(33)36-2)20(14-16)30-25(34)28-12-13-31-21(15-5-8-17(26)9-6-15)29-19-4-3-11-27-22(19)31/h3-11,14H,12-13H2,1-2H3,(H2,28,30,34)

InChI Key

VMIGXKCSOWKELP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27102083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.952

Distribution Coefficient, logD

3.940

Water Solubility, LogSw

-4.00

Polar Surface Area

95.169

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

F113-0027 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F113-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F113-0027?
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What is the minimum amount of F113-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F113-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F113-0027
  • 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 F113-0027 available by request