F538-0406 Screening compound: 1-{3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl}-3-(propan-2-yl)urea

F538-0406 Screening compound: 1-{3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl}-3-(propan-2-yl)urea
F538-0406 Screening compound: 1-{3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl}-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F538-0406
1-{3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl}-3-(propan-2-yl)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

F538-0406

Molecular Formula

C17H18N4O2S (C17 H18 N4 O2 S)

Compound Name

1-{3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl}-3-(propan-2-yl)urea

IUPAC name

1-{3-[5-(5-methylthiophen-2-yl)-124-oxadiazol-3-yl]phenyl}-3-(propan-2-yl)urea

SMILES

CC(C)NC(Nc1cccc(-c2noc(-c3ccc(C)s3)n2)c1)=O

InChI

InChI=1S/C17H18N4O2S/c1-10(2)18-17(22)19-13-6-4-5-12(9-13)15-20-16(23-21-15)14-8-7-11(3)24-14/h4-10H,1-3H3,(H2,18,19,22)

InChI Key

XLNUGHSCFPHILG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14958462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.908

Distribution Coefficient, logD

4.908

Water Solubility, LogSw

-4.65

Polar Surface Area

65.533

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

F538-0406 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F538-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F538-0406?
Check Price and Availability of F538-0406, 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 F538-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F538-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F538-0406
  • 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 F538-0406 available by request