S990-0483 Screening compound: 4-methanesulfonyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(pyridine-3-carbonyl)-1,4-diazepane

S990-0483 Screening compound: 4-methanesulfonyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(pyridine-3-carbonyl)-1,4-diazepane
S990-0483 Screening compound: 4-methanesulfonyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(pyridine-3-carbonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound S990-0483
4-methanesulfonyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(pyridine-3-carbonyl)-1,4-diazepane

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

S990-0483

Molecular Formula

C15H19N5O4S (C15 H19 N5 O4 S)

Compound Name

4-methanesulfonyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(pyridine-3-carbonyl)-1,4-diazepane

IUPAC name

4-methanesulfonyl-5-(3-methyl-124-oxadiazol-5-yl)-1-(pyridine-3-carbonyl)-14-diazepane

SMILES

Cc1noc(C(CCN(CC2)C(c3cnccc3)=O)N2S(C)(=O)=O)n1

InChI

InChI=1S/C15H19N5O4S/c1-11-17-14(24-18-11)13-5-7-19(8-9-20(13)25(2,22)23)15(21)12-4-3-6-16-10-12/h3-4,6,10,13H,5,7-9H2,1-2H3/t13-/m0/s1

InChI Key

APYSHWOUIPTTOH-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD32232582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.346

Distribution Coefficient, logD

-0.346

Water Solubility, LogSw

-1.14

Polar Surface Area

89.779

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

S990-0483 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S990-0483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S990-0483?
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What is the minimum amount of S990-0483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S990-0483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S990-0483
  • 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 S990-0483 available by request