S517-1460 Screening compound: 4-[(4-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole

S517-1460 Screening compound: 4-[(4-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole
S517-1460 Screening compound: 4-[(4-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S517-1460
4-[(4-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole

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

S517-1460

Molecular Formula

C22H29N7O4S (C22 H29 N7 O4 S)

Compound Name

4-[(4-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole

IUPAC name

4-[(4-{4-[(4-ethyl-4H-124-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-213-benzoxadiazole

SMILES

CCn1c(CC(CC2)CCN2C(C(CC2)CCN2S(c2cccc3nonc23)(=O)=O)=O)nnc1

InChI

InChI=1S/C22H29N7O4S/c1-2-27-15-23-24-20(27)14-16-6-10-28(11-7-16)22(30)17-8-12-29(13-9-17)34(31,32)19-5-3-4-18-21(19)26-33-25-18/h3-5,15-17H,2,6-14H2,1H3

InChI Key

XVRYKEYMVRZXME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31976862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.890

Distribution Coefficient, logD

1.886

Water Solubility, LogSw

-2.33

Polar Surface Area

109.745

Acid Dissociation Constant (pKa)

21.12

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.09

S517-1460 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

KRAS-Targeted Library (16000 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S517-1460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S517-1460?
Check Price and Availability of S517-1460, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S517-1460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S517-1460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S517-1460
  • 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 S517-1460 available by request