S230-2574 Screening compound: N~1~-[(3S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide

S230-2574 Screening compound: N~1~-[(3S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide
S230-2574 Screening compound: N~1~-[(3S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S230-2574
N~1~-[(3S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide

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

S230-2574

Molecular Formula

C17H23N5O5S (C17 H23 N5 O5 S)

Compound Name

N~1~-[(3S,4S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide

IUPAC name

n/a

SMILES

Cc1noc(C)c1S(N(CC[C@H]1c2nc(C)no2)C[C@@H]1NC(C1CC1)=O)(=O)=O

InChI

InChI=1S/C17H23N5O5S/c1-9-15(10(2)26-20-9)28(24,25)22-7-6-13(17-18-11(3)21-27-17)14(8-22)19-16(23)12-4-5-12/h12-14H,4-8H2,1-3H3,(H,19,23)/t13-,14-/m0/s1

InChI Key

ZDOJJFIEUFBQBN-KBPBESRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.550

Distribution Coefficient, logD

0.550

Water Solubility, LogSw

-2.18

Polar Surface Area

110.071

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.70

S230-2574 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S230-2574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S230-2574?
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What is the minimum amount of S230-2574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S230-2574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S230-2574
  • 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 S230-2574 available by request