S399-1910 Screening compound: 1-(3-chloro-4-fluorophenyl)-5-oxo-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-3-carboxamide

S399-1910 Screening compound: 1-(3-chloro-4-fluorophenyl)-5-oxo-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-3-carboxamide
S399-1910 Screening compound: 1-(3-chloro-4-fluorophenyl)-5-oxo-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-1910
1-(3-chloro-4-fluorophenyl)-5-oxo-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-3-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

S399-1910

Molecular Formula

C20H17ClFN5O3 (C20 H17 ClFN5 O3)

Compound Name

1-(3-chloro-4-fluorophenyl)-5-oxo-N-{2-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]ethyl}pyrrolidine-3-carboxamide

IUPAC name

1-(3-chloro-4-fluorophenyl)-5-oxo-N-{2-[5-(pyridin-4-yl)-124-oxadiazol-3-yl]ethyl}pyrrolidine-3-carboxamide

SMILES

O=C(C(CC1=O)CN1c(cc1)cc(Cl)c1F)NCCc1noc(-c2ccncc2)n1

InChI

InChI=1S/C20H17ClFN5O3/c21-15-10-14(1-2-16(15)22)27-11-13(9-18(27)28)19(29)24-8-5-17-25-20(30-26-17)12-3-6-23-7-4-12/h1-4,6-7,10,13H,5,8-9,11H2,(H,24,29)/t13-/m1/s1

InChI Key

RTOZMRPZVQSZEX-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD29014295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.641

Distribution Coefficient, logD

1.641

Water Solubility, LogSw

-2.65

Polar Surface Area

83.339

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

S399-1910 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S399-1910 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-1910?
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What is the minimum amount of S399-1910 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1910
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1910
  • 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 S399-1910 available by request