S399-0082 Screening compound: 5-chloro-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide

S399-0082 Screening compound: 5-chloro-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
S399-0082 Screening compound: 5-chloro-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-0082
5-chloro-2-methoxy-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

S399-0082

Molecular Formula

C13H14ClN3O3 (C13 H14 ClN3 O3)

Compound Name

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

IUPAC name

5-chloro-2-methoxy-N-[2-(5-methyl-124-oxadiazol-3-yl)ethyl]benzamide

SMILES

Cc1nc(CCNC(c(cc(cc2)Cl)c2OC)=O)no1

InChI

InChI=1S/C13H14ClN3O3/c1-8-16-12(17-20-8)5-6-15-13(18)10-7-9(14)3-4-11(10)19-2/h3-4,7H,5-6H2,1-2H3,(H,15,18)

InChI Key

XDBSBIWUNSQOGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29004905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.150

Distribution Coefficient, logD

2.150

Water Solubility, LogSw

-3.37

Polar Surface Area

64.291

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

S399-0082 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 S399-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-0082?
Check Price and Availability of S399-0082, 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 S399-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-0082
  • 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 S399-0082 available by request