S565-1468 Screening compound: N-(2-{3-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)-N-methylthiophene-2-sulfonamide

S565-1468 Screening compound: N-(2-{3-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)-N-methylthiophene-2-sulfonamide
S565-1468 Screening compound: N-(2-{3-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)-N-methylthiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-1468
N-(2-{3-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)-N-methylthiophene-2-sulfonamide

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

S565-1468

Molecular Formula

C20H25N7O3S2 (C20 H25 N7 O3 S2)

Compound Name

N-(2-{3-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)-N-methylthiophene-2-sulfonamide

IUPAC name

N-(2-{3-[4-(cyclopropylmethyl)-4H-124-triazol-3-yl]-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl}-2-oxoethyl)-N-methylthiophene-2-sulfonamide

SMILES

CN(CC(N(CC1)Cc2c1n(C)nc2-c1nncn1CC1CC1)=O)S(c1cccs1)(=O)=O

InChI

InChI=1S/C20H25N7O3S2/c1-24(32(29,30)18-4-3-9-31-18)12-17(28)26-8-7-16-15(11-26)19(23-25(16)2)20-22-21-13-27(20)10-14-5-6-14/h3-4,9,13-14H,5-8,10-12H2,1-2H3

InChI Key

ZIDGTVVBUDPXCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31987907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.319

Distribution Coefficient, logD

0.318

Water Solubility, LogSw

-2.04

Polar Surface Area

89.501

Acid Dissociation Constant (pKa)

19.85

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S565-1468 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S565-1468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-1468?
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What is the minimum amount of S565-1468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-1468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-1468
  • 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 S565-1468 available by request