F538-0281 Screening compound: 3-propyl-1-(3-{5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl}phenyl)urea

F538-0281 Screening compound: 3-propyl-1-(3-{5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl}phenyl)urea
F538-0281 Screening compound: 3-propyl-1-(3-{5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl}phenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F538-0281
3-propyl-1-(3-{5-[(1E)-2-(thiophen-2-yl)ethenyl]-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

F538-0281

Molecular Formula

C18H18N4O2S (C18 H18 N4 O2 S)

Compound Name

3-propyl-1-(3-{5-[(1E)-2-(thiophen-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl}phenyl)urea

IUPAC name

3-propyl-1-(3-{5-[(1E)-2-(thiophen-2-yl)ethenyl]-124-oxadiazol-3-yl}phenyl)urea

SMILES

CCCNC(Nc1cccc(-c2noc(/C=C/c3cccs3)n2)c1)=O

InChI

InChI=1S/C18H18N4O2S/c1-2-10-19-18(23)20-14-6-3-5-13(12-14)17-21-16(24-22-17)9-8-15-7-4-11-25-15/h3-9,11-12H,2,10H2,1H3,(H2,19,20,23)

InChI Key

YIQSKLGPUZPDIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27173842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.881

Distribution Coefficient, logD

4.881

Water Solubility, LogSw

-4.62

Polar Surface Area

66.066

Acid Dissociation Constant (pKa)

14.06

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F538-0281 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F538-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F538-0281?
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What is the minimum amount of F538-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F538-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F538-0281
  • 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 F538-0281 available by request