S021-1189 Screening compound: N~6~,N~6~-dimethyl-9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-sulfonamide

S021-1189 Screening compound: N~6~,N~6~-dimethyl-9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-sulfonamide
S021-1189 Screening compound: N~6~,N~6~-dimethyl-9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S021-1189
N~6~,N~6~-dimethyl-9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-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

S021-1189

Molecular Formula

C17H19N5O3S (C17 H19 N5 O3 S)

Compound Name

N~6~,N~6~-dimethyl-9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-sulfonamide

IUPAC name

NN-dimethyl-8-oxo-5-phenyl-26712-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-triene-12-sulfonamide

SMILES

CN(C)S(N(CC1)CC(N=C2N3NC(c4ccccc4)=C2)=C1C3=O)(=O)=O

InChI

InChI=1S/C17H19N5O3S/c1-20(2)26(24,25)21-9-8-13-15(11-21)18-16-10-14(19-22(16)17(13)23)12-6-4-3-5-7-12/h3-7,10,19H,8-9,11H2,1-2H3

InChI Key

RSROCDLLHZJLDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29032389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.793

Distribution Coefficient, logD

0.793

Water Solubility, LogSw

-2.28

Polar Surface Area

76.215

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

-2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

S021-1189 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)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 S021-1189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-1189?
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What is the minimum amount of S021-1189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-1189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-1189
  • 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 S021-1189 available by request