S399-0046 Screening compound: 3,5-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide

S399-0046 Screening compound: 3,5-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
S399-0046 Screening compound: 3,5-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-0046
3,5-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]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

S399-0046

Molecular Formula

C14H17N3O2 (C14 H17 N3 O2)

Compound Name

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

IUPAC name

35-dimethyl-N-[2-(5-methyl-124-oxadiazol-3-yl)ethyl]benzamide

SMILES

Cc1nc(CCNC(c2cc(C)cc(C)c2)=O)no1

InChI

InChI=1S/C14H17N3O2/c1-9-6-10(2)8-12(7-9)14(18)15-5-4-13-16-11(3)19-17-13/h6-8H,4-5H2,1-3H3,(H,15,18)

InChI Key

CKHYXSWMVWMROZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29004901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

259.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.039

Distribution Coefficient, logD

2.039

Water Solubility, LogSw

-2.44

Polar Surface Area

56.661

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

S399-0046 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 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

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

References: we are preparing a list of scientific research reports with S399-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-0046?
Check Price and Availability of S399-0046, 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 S399-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-0046
  • 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 S399-0046 available by request