S399-0566 Screening compound: 3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]urea

S399-0566 Screening compound: 3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]urea
S399-0566 Screening compound: 3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-0566
3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)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

S399-0566

Molecular Formula

C15H15F3N4O2 (C15 H15 F3 N4 O2)

Compound Name

3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]urea

IUPAC name

3-[2-(5-cyclopropyl-124-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]urea

SMILES

O=C(NCCc1noc(C2CC2)n1)Nc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C15H15F3N4O2/c16-15(17,18)10-2-1-3-11(8-10)20-14(23)19-7-6-12-21-13(24-22-12)9-4-5-9/h1-3,8-9H,4-7H2,(H2,19,20,23)

InChI Key

GHEUGYXTRSKJDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29004922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.31

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

3.659

Distribution Coefficient, logD

3.659

Water Solubility, LogSw

-4.11

Polar Surface Area

66.896

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

S399-0566 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S399-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-0566?
Check Price and Availability of S399-0566, 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 S399-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-0566
  • 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 S399-0566 available by request