S230-2504 Screening compound: N~1~-[(3S,4S)-1-[2-(4-fluorophenoxy)acetyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide

S230-2504 Screening compound: N~1~-[(3S,4S)-1-[2-(4-fluorophenoxy)acetyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide
S230-2504 Screening compound: N~1~-[(3S,4S)-1-[2-(4-fluorophenoxy)acetyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)hexahydro-3-pyridinyl]-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S230-2504
N~1~-[(3S,4S)-1-[2-(4-fluorophenoxy)acetyl]-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

S230-2504

Molecular Formula

C20H23FN4O4 (C20 H23 FN4 O4)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1noc([C@H](CCN(C2)C(COc(cc3)ccc3F)=O)[C@H]2NC(C2CC2)=O)n1

InChI

InChI=1S/C20H23FN4O4/c1-12-22-20(29-24-12)16-8-9-25(10-17(16)23-19(27)13-2-3-13)18(26)11-28-15-6-4-14(21)5-7-15/h4-7,13,16-17H,2-3,8-11H2,1H3,(H,23,27)/t16-,17-/m0/s1

InChI Key

UYRRSPIXELNVSW-IRXDYDNUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.455

Distribution Coefficient, logD

1.455

Water Solubility, LogSw

-2.25

Polar Surface Area

79.942

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S230-2504 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S230-2504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S230-2504?
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What is the minimum amount of S230-2504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S230-2504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S230-2504
  • 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 S230-2504 available by request