S399-1701 Screening compound: 1-ethyl-2-methyl-5-phenyl-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-1H-pyrrole-3-carboxamide

S399-1701 Screening compound: 1-ethyl-2-methyl-5-phenyl-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-1H-pyrrole-3-carboxamide
S399-1701 Screening compound: 1-ethyl-2-methyl-5-phenyl-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-1H-pyrrole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-1701
1-ethyl-2-methyl-5-phenyl-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-1H-pyrrole-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

S399-1701

Molecular Formula

C23H23N5O2 (C23 H23 N5 O2)

Compound Name

1-ethyl-2-methyl-5-phenyl-N-{2-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]ethyl}-1H-pyrrole-3-carboxamide

IUPAC name

1-ethyl-2-methyl-5-phenyl-N-{2-[5-(pyridin-3-yl)-124-oxadiazol-3-yl]ethyl}-1H-pyrrole-3-carboxamide

SMILES

CCn1c(-c2ccccc2)cc(C(NCCc2noc(-c3cnccc3)n2)=O)c1C

InChI

InChI=1S/C23H23N5O2/c1-3-28-16(2)19(14-20(28)17-8-5-4-6-9-17)22(29)25-13-11-21-26-23(30-27-21)18-10-7-12-24-15-18/h4-10,12,14-15H,3,11,13H2,1-2H3,(H,25,29)

InChI Key

QCUGPUUKKXQLNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.395

Distribution Coefficient, logD

3.302

Water Solubility, LogSw

-3.54

Polar Surface Area

67.355

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

S399-1701 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S399-1701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-1701?
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What is the minimum amount of S399-1701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1701
  • 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 S399-1701 available by request