4004-0427 Screening compound: 4-{3-[(E)-[(3-fluorophenyl)methylidene]amino]imidazo[1,2-a]pyridin-2-yl}-2-methoxyphenol

4004-0427 Screening compound: 4-{3-[(E)-[(3-fluorophenyl)methylidene]amino]imidazo[1,2-a]pyridin-2-yl}-2-methoxyphenol
4004-0427 Screening compound: 4-{3-[(E)-[(3-fluorophenyl)methylidene]amino]imidazo[1,2-a]pyridin-2-yl}-2-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4004-0427
4-{3-[(E)-[(3-fluorophenyl)methylidene]amino]imidazo[1,2-a]pyridin-2-yl}-2-methoxyphenol

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

4004-0427

Molecular Formula

C21H16FN3O2 (C21 H16 FN3 O2)

Compound Name

4-{3-[(E)-[(3-fluorophenyl)methylidene]amino]imidazo[1,2-a]pyridin-2-yl}-2-methoxyphenol

IUPAC name

4-{3-[(E)-[(3-fluorophenyl)methylidene]amino]imidazo[12-a]pyridin-2-yl}-2-methoxyphenol

SMILES

COc(cc(cc1)-c(nc2n3cccc2)c3/N=C/c2cccc(F)c2)c1O

InChI

InChI=1S/C21H16FN3O2/c1-27-18-12-15(8-9-17(18)26)20-21(25-10-3-2-7-19(25)24-20)23-13-14-5-4-6-16(22)11-14/h2-13,26H,1H3

InChI Key

BIDSGQVRXPFXBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02316319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.713

Distribution Coefficient, logD

3.696

Water Solubility, LogSw

-3.75

Polar Surface Area

41.072

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

4004-0427 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4004-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4004-0427?
Check Price and Availability of 4004-0427, 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 4004-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4004-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4004-0427
  • 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 4004-0427 available by request