S399-1877 Screening compound: N'-ethyl-N'-phenyl-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}butanediamide

S399-1877 Screening compound: N'-ethyl-N'-phenyl-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}butanediamide
S399-1877 Screening compound: N'-ethyl-N'-phenyl-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}butanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-1877
N'-ethyl-N'-phenyl-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}butanediamide

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

S399-1877

Molecular Formula

C21H23N5O3 (C21 H23 N5 O3)

Compound Name

N'-ethyl-N'-phenyl-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}butanediamide

IUPAC name

N'-ethyl-N'-phenyl-N-{2-[5-(pyridin-4-yl)-124-oxadiazol-3-yl]ethyl}butanediamide

SMILES

CCN(C(CCC(NCCc1noc(-c2ccncc2)n1)=O)=O)c1ccccc1

InChI

InChI=1S/C21H23N5O3/c1-2-26(17-6-4-3-5-7-17)20(28)9-8-19(27)23-15-12-18-24-21(29-25-18)16-10-13-22-14-11-16/h3-7,10-11,13-14H,2,8-9,12,15H2,1H3,(H,23,27)

InChI Key

JRNQLLNRFHETPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31988643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.364

Distribution Coefficient, logD

1.364

Water Solubility, LogSw

-1.49

Polar Surface Area

81.467

Acid Dissociation Constant (pKa)

14.78

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

S399-1877 in Drug Discovery

Included in Screening Libraries

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

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 S399-1877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-1877?
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What is the minimum amount of S399-1877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1877
  • 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 S399-1877 available by request