F538-0877 Screening compound: 3-{3-[5-(1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl}-1-phenylurea

F538-0877 Screening compound: 3-{3-[5-(1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl}-1-phenylurea
F538-0877 Screening compound: 3-{3-[5-(1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl}-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound F538-0877
3-{3-[5-(1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl}-1-phenylurea

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

F538-0877

Molecular Formula

C19H16N6O2 (C19 H16 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cn1nccc1-c1nc(-c2cccc(NC(Nc3ccccc3)=O)c2)no1

InChI

InChI=1S/C19H16N6O2/c1-25-16(10-11-20-25)18-23-17(24-27-18)13-6-5-9-15(12-13)22-19(26)21-14-7-3-2-4-8-14/h2-12H,1H3,(H2,21,22,26)

InChI Key

SAIUHVYKHQIHFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27173954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.972

Distribution Coefficient, logD

3.972

Water Solubility, LogSw

-4.08

Polar Surface Area

77.597

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

F538-0877 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with F538-0877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F538-0877?
Check Price and Availability of F538-0877, 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 F538-0877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F538-0877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F538-0877
  • 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 F538-0877 available by request