S399-1875 Screening compound: 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}propanamide

S399-1875 Screening compound: 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}propanamide
S399-1875 Screening compound: 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-1875
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}propanamide

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

S399-1875

Molecular Formula

C21H20N6O4 (C21 H20 N6 O4)

Compound Name

3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}propanamide

IUPAC name

3-[3-(2-methoxyphenyl)-124-oxadiazol-5-yl]-N-{2-[5-(pyridin-4-yl)-124-oxadiazol-3-yl]ethyl}propanamide

SMILES

COc(cccc1)c1-c1noc(CCC(NCCc2noc(-c3ccncc3)n2)=O)n1

InChI

InChI=1S/C21H20N6O4/c1-29-16-5-3-2-4-15(16)20-25-19(30-27-20)7-6-18(28)23-13-10-17-24-21(31-26-17)14-8-11-22-12-9-14/h2-5,8-9,11-12H,6-7,10,13H2,1H3,(H,23,28)

InChI Key

FDXVRUWXBLTDHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31960361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.663

Distribution Coefficient, logD

1.662

Water Solubility, LogSw

-2.05

Polar Surface Area

105.349

Acid Dissociation Constant (pKa)

14.85

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

S399-1875 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S399-1875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-1875?
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What is the minimum amount of S399-1875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1875
  • 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 S399-1875 available by request