S517-1369 Screening compound: 4-{[4-(4-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

S517-1369 Screening compound: 4-{[4-(4-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole
S517-1369 Screening compound: 4-{[4-(4-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S517-1369
4-{[4-(4-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-2,1,3-benzothiadiazole

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

S517-1369

Molecular Formula

C23H31N7O3S2 (C23 H31 N7 O3 S2)

Compound Name

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

IUPAC name

4-{[4-(4-{[4-(propan-2-yl)-4H-124-triazol-3-yl]methyl}piperidine-1-carbonyl)piperidin-1-yl]sulfonyl}-213-benzothiadiazole

SMILES

CC(C)n1c(CC(CC2)CCN2C(C(CC2)CCN2S(c2cccc3nsnc23)(=O)=O)=O)nnc1

InChI

InChI=1S/C23H31N7O3S2/c1-16(2)30-15-24-25-21(30)14-17-6-10-28(11-7-17)23(31)18-8-12-29(13-9-18)35(32,33)20-5-3-4-19-22(20)27-34-26-19/h3-5,15-18H,6-14H2,1-2H3

InChI Key

QKFJJDNAKQMLII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.68

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

2.461

Distribution Coefficient, logD

2.448

Water Solubility, LogSw

-2.55

Polar Surface Area

95.674

Acid Dissociation Constant (pKa)

18.76

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

S517-1369 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S517-1369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S517-1369?
Check Price and Availability of S517-1369, 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 S517-1369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S517-1369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S517-1369
  • 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 S517-1369 available by request