S586-0983 Screening compound: 3-[5-(3-methoxybenzenesulfonyl)-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazin-3-yl]-1-(morpholin-4-yl)propan-1-one

S586-0983 Screening compound: 3-[5-(3-methoxybenzenesulfonyl)-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazin-3-yl]-1-(morpholin-4-yl)propan-1-one
S586-0983 Screening compound: 3-[5-(3-methoxybenzenesulfonyl)-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazin-3-yl]-1-(morpholin-4-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S586-0983
3-[5-(3-methoxybenzenesulfonyl)-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazin-3-yl]-1-(morpholin-4-yl)propan-1-one

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

S586-0983

Molecular Formula

C19H25N5O5S (C19 H25 N5 O5 S)

Compound Name

3-[5-(3-methoxybenzenesulfonyl)-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazin-3-yl]-1-(morpholin-4-yl)propan-1-one

IUPAC name

3-[5-(3-methoxybenzenesulfonyl)-4H5H6H7H-[123]triazolo[15-a]pyrazin-3-yl]-1-(morpholin-4-yl)propan-1-one

SMILES

COc1cccc(S(N2Cc3c(CCC(N4CCOCC4)=O)nnn3CC2)(=O)=O)c1

InChI

InChI=1S/C19H25N5O5S/c1-28-15-3-2-4-16(13-15)30(26,27)23-7-8-24-18(14-23)17(20-21-24)5-6-19(25)22-9-11-29-12-10-22/h2-4,13H,5-12,14H2,1H3

InChI Key

KWHLFERTFQDIOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31960996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.033

Distribution Coefficient, logD

-0.033

Water Solubility, LogSw

-2.14

Polar Surface Area

90.267

Acid Dissociation Constant (pKa)

21.81

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.63

S586-0983 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S586-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S586-0983?
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What is the minimum amount of S586-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S586-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S586-0983
  • 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 S586-0983 available by request