F357-0054 Screening compound: 3-[4-({4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-1-yl}methyl)phenyl]-1-(4-chlorophenyl)urea

F357-0054 Screening compound: 3-[4-({4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-1-yl}methyl)phenyl]-1-(4-chlorophenyl)urea
F357-0054 Screening compound: 3-[4-({4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-1-yl}methyl)phenyl]-1-(4-chlorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F357-0054
3-[4-({4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-1-yl}methyl)phenyl]-1-(4-chlorophenyl)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

F357-0054

Molecular Formula

C26H19ClN6O4 (C26 H19 ClN6 O4)

Compound Name

3-[4-({4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-1-yl}methyl)phenyl]-1-(4-chlorophenyl)urea

IUPAC name

3-[4-({4-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]-1H-imidazol-1-yl}methyl)phenyl]-1-(4-chlorophenyl)urea

SMILES

O=C(Nc1ccc(Cn2cnc(-c3nc(-c(cc4)cc5c4OCO5)no3)c2)cc1)Nc(cc1)ccc1Cl

InChI

InChI=1S/C26H19ClN6O4/c27-18-4-8-20(9-5-18)30-26(34)29-19-6-1-16(2-7-19)12-33-13-21(28-14-33)25-31-24(32-37-25)17-3-10-22-23(11-17)36-15-35-22/h1-11,13-14H,12,15H2,(H2,29,30,34)

InChI Key

OGZLOJIUZZLOMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27118569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.024

Distribution Coefficient, logD

6.024

Water Solubility, LogSw

-6.39

Polar Surface Area

93.126

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

F357-0054 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F357-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F357-0054?
Check Price and Availability of F357-0054, 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 F357-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F357-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F357-0054
  • 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 F357-0054 available by request