S399-1720 Screening compound: N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-1,2,3,4-tetrahydroacridine-9-carboxamide

S399-1720 Screening compound: N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-1,2,3,4-tetrahydroacridine-9-carboxamide
S399-1720 Screening compound: N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-1,2,3,4-tetrahydroacridine-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-1720
N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-1,2,3,4-tetrahydroacridine-9-carboxamide

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

S399-1720

Molecular Formula

C23H21N5O2 (C23 H21 N5 O2)

Compound Name

N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-1,2,3,4-tetrahydroacridine-9-carboxamide

IUPAC name

N-{2-[5-(pyridin-3-yl)-124-oxadiazol-3-yl]ethyl}-1234-tetrahydroacridine-9-carboxamide

SMILES

O=C(c1c(CCCC2)c2nc2ccccc12)NCCc1noc(-c2cnccc2)n1

InChI

InChI=1S/C23H21N5O2/c29-22(25-13-11-20-27-23(30-28-20)15-6-5-12-24-14-15)21-16-7-1-3-9-18(16)26-19-10-4-2-8-17(19)21/h1,3,5-7,9,12,14H,2,4,8,10-11,13H2,(H,25,29)

InChI Key

AWVMUJJYRUQDEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29012106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.052

Distribution Coefficient, logD

2.959

Water Solubility, LogSw

-3.14

Polar Surface Area

76.431

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

S399-1720 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S399-1720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-1720?
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What is the minimum amount of S399-1720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1720
  • 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 S399-1720 available by request