F538-0583 Screening compound: 3-(butan-2-yl)-1-{3-[5-(1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl}urea

F538-0583 Screening compound: 3-(butan-2-yl)-1-{3-[5-(1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl}urea
F538-0583 Screening compound: 3-(butan-2-yl)-1-{3-[5-(1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F538-0583
3-(butan-2-yl)-1-{3-[5-(1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl}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

F538-0583

Molecular Formula

C17H20N6O2 (C17 H20 N6 O2)

Compound Name

3-(butan-2-yl)-1-{3-[5-(1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl}urea

IUPAC name

3-(butan-2-yl)-1-{3-[5-(1-methyl-1H-pyrazol-5-yl)-124-oxadiazol-3-yl]phenyl}urea

SMILES

CCC(C)NC(Nc1cc(-c2noc(-c3ccnn3C)n2)ccc1)=O

InChI

InChI=1S/C17H20N6O2/c1-4-11(2)19-17(24)20-13-7-5-6-12(10-13)15-21-16(25-22-15)14-8-9-18-23(14)3/h5-11H,4H2,1-3H3,(H2,19,20,24)/t11-/m0/s1

InChI Key

LKABTPHMTKVJJZ-NSHDSACASA-N

MDL Number (MFCD)

MFCD27173919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.979

Distribution Coefficient, logD

2.979

Water Solubility, LogSw

-3.35

Polar Surface Area

78.633

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

F538-0583 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F538-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F538-0583?
Check Price and Availability of F538-0583, 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 F538-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F538-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F538-0583
  • 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 F538-0583 available by request