S021-2319 Screening compound: N~6~-methyl-2-oxo-N~6~-{2-oxo-2-[9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]ethyl}-1,2,3,4-tetrahydro-6-quinolinesulfonamide

S021-2319 Screening compound: N~6~-methyl-2-oxo-N~6~-{2-oxo-2-[9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]ethyl}-1,2,3,4-tetrahydro-6-quinolinesulfonamide
S021-2319 Screening compound: N~6~-methyl-2-oxo-N~6~-{2-oxo-2-[9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]ethyl}-1,2,3,4-tetrahydro-6-quinolinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S021-2319
N~6~-methyl-2-oxo-N~6~-{2-oxo-2-[9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]ethyl}-1,2,3,4-tetrahydro-6-quinolinesulfonamide

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

S021-2319

Molecular Formula

C27H26N6O5S (C27 H26 N6 O5 S)

Compound Name

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

IUPAC name

N-methyl-2-oxo-N-(2-oxo-2-{8-oxo-5-phenyl-26712-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-12-yl}ethyl)-1234-tetrahydroquinoline-6-sulfonamide

SMILES

CN(CC(N(CC1)CC(N=C2N3NC(c4ccccc4)=C2)=C1C3=O)=O)S(c(cc1)cc(CC2)c1NC2=O)(=O)=O

InChI

InChI=1S/C27H26N6O5S/c1-31(39(37,38)19-8-9-21-18(13-19)7-10-25(34)29-21)16-26(35)32-12-11-20-23(15-32)28-24-14-22(30-33(24)27(20)36)17-5-3-2-4-6-17/h2-6,8-9,13-14,30H,7,10-12,15-16H2,1H3,(H,29,34)

InChI Key

WBPMRIDXWZDQTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29033207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.997

Distribution Coefficient, logD

0.996

Water Solubility, LogSw

-2.54

Polar Surface Area

113.923

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

S021-2319 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S021-2319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-2319?
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What is the minimum amount of S021-2319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-2319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-2319
  • 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 S021-2319 available by request