S399-1868 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-{2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-4-carboxamide

S399-1868 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-{2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-4-carboxamide
S399-1868 Screening compound: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-{2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-1868
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-{2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-4-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

S399-1868

Molecular Formula

C17H25N5O6S (C17 H25 N5 O6 S)

Compound Name

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-{2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl}piperidine-4-carboxamide

IUPAC name

1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-N-{2-[5-(methoxymethyl)-124-oxadiazol-3-yl]ethyl}piperidine-4-carboxamide

SMILES

Cc1noc(C)c1S(N(CC1)CCC1C(NCCc1noc(COC)n1)=O)(=O)=O

InChI

InChI=1S/C17H25N5O6S/c1-11-16(12(2)27-20-11)29(24,25)22-8-5-13(6-9-22)17(23)18-7-4-14-19-15(10-26-3)28-21-14/h13H,4-10H2,1-3H3,(H,18,23)

InChI Key

QVHMMLOQTFGWEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31960347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.343

Distribution Coefficient, logD

-0.343

Water Solubility, LogSw

-1.44

Polar Surface Area

119.271

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.71

S399-1868 in Drug Discovery

Included in Screening Libraries

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 S399-1868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-1868?
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What is the minimum amount of S399-1868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-1868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-1868
  • 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 S399-1868 available by request