S021-1206 Screening compound: 3-{[9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]sulfonyl}benzonitrile

S021-1206 Screening compound: 3-{[9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]sulfonyl}benzonitrile
S021-1206 Screening compound: 3-{[9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]sulfonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S021-1206
3-{[9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]sulfonyl}benzonitrile

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

S021-1206

Molecular Formula

C22H17N5O3S (C22 H17 N5 O3 S)

Compound Name

3-{[9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]sulfonyl}benzonitrile

IUPAC name

3-({8-oxo-5-phenyl-26712-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-12-yl}sulfonyl)benzonitrile

SMILES

N#Cc1cccc(S(N(CC2)CC(N=C3N4NC(c5ccccc5)=C3)=C2C4=O)(=O)=O)c1

InChI

InChI=1S/C22H17N5O3S/c23-13-15-5-4-8-17(11-15)31(29,30)26-10-9-18-20(14-26)24-21-12-19(25-27(21)22(18)28)16-6-2-1-3-7-16/h1-8,11-12,25H,9-10,14H2

InChI Key

KSMPWAIIFHNXRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.182

Distribution Coefficient, logD

2.181

Water Solubility, LogSw

-2.87

Polar Surface Area

88.913

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

-2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

S021-1206 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S021-1206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-1206?
Check Price and Availability of S021-1206, 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 S021-1206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-1206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-1206
  • 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 S021-1206 available by request