S022-1697 Screening compound: N~2~-methyl-N~2~-{2-oxo-2-[9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl]ethyl}-2-thiophenesulfonamide

S022-1697 Screening compound: N~2~-methyl-N~2~-{2-oxo-2-[9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl]ethyl}-2-thiophenesulfonamide
S022-1697 Screening compound: N~2~-methyl-N~2~-{2-oxo-2-[9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl]ethyl}-2-thiophenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S022-1697
N~2~-methyl-N~2~-{2-oxo-2-[9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl]ethyl}-2-thiophenesulfonamide

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

S022-1697

Molecular Formula

C22H21N5O4S2 (C22 H21 N5 O4 S2)

Compound Name

N~2~-methyl-N~2~-{2-oxo-2-[9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl]ethyl}-2-thiophenesulfonamide

IUPAC name

N-methyl-N-(2-oxo-2-{8-oxo-5-phenyl-26711-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-11-yl}ethyl)thiophene-2-sulfonamide

SMILES

CN(CC(N(CC1)CC(C2=O)=C1N=C1N2NC(c2ccccc2)=C1)=O)S(c1cccs1)(=O)=O

InChI

InChI=1S/C22H21N5O4S2/c1-25(33(30,31)21-8-5-11-32-21)14-20(28)26-10-9-17-16(13-26)22(29)27-19(23-17)12-18(24-27)15-6-3-2-4-7-15/h2-8,11-12,24H,9-10,13-14H2,1H3

InChI Key

PJPLEUUIHSIJEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29033099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.248

Distribution Coefficient, logD

1.248

Water Solubility, LogSw

-2.35

Polar Surface Area

90.120

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

S022-1697 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S022-1697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S022-1697?
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What is the minimum amount of S022-1697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S022-1697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S022-1697
  • 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 S022-1697 available by request