S399-0380 Screening compound: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide

S399-0380 Screening compound: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide
S399-0380 Screening compound: N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-0380
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide

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

S399-0380

Molecular Formula

C15H14F3N3O3 (C15 H14 F3 N3 O3)

Compound Name

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide

IUPAC name

N-[2-(5-cyclopropyl-124-oxadiazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide

SMILES

O=C(c(cc1)ccc1OC(F)(F)F)NCCc1noc(C2CC2)n1

InChI

InChI=1S/C15H14F3N3O3/c16-15(17,18)23-11-5-3-9(4-6-11)13(22)19-8-7-12-20-14(24-21-12)10-1-2-10/h3-6,10H,1-2,7-8H2,(H,19,22)

InChI Key

CIKAARCSIVDRRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29004949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.364

Distribution Coefficient, logD

3.364

Water Solubility, LogSw

-3.61

Polar Surface Area

63.621

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

S399-0380 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S399-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-0380?
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What is the minimum amount of S399-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-0380
  • 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 S399-0380 available by request