S022-1766 Screening compound: N~6~,3-dimethyl-2-oxo-N~6~-{2-oxo-2-[9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl]ethyl}-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

S022-1766 Screening compound: N~6~,3-dimethyl-2-oxo-N~6~-{2-oxo-2-[9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl]ethyl}-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
S022-1766 Screening compound: N~6~,3-dimethyl-2-oxo-N~6~-{2-oxo-2-[9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl]ethyl}-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S022-1766
N~6~,3-dimethyl-2-oxo-N~6~-{2-oxo-2-[9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl]ethyl}-2,3-dihydro-1,3-benzoxazole-6-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

S022-1766

Molecular Formula

C26H24N6O6S (C26 H24 N6 O6 S)

Compound Name

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

IUPAC name

N3-dimethyl-2-oxo-N-(2-oxo-2-{8-oxo-5-phenyl-26711-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-11-yl}ethyl)-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

CN(CC(N(CC1)CC(C2=O)=C1N=C1N2NC(c2ccccc2)=C1)=O)S(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O

InChI

InChI=1S/C26H24N6O6S/c1-29(39(36,37)17-8-9-21-22(12-17)38-26(35)30(21)2)15-24(33)31-11-10-19-18(14-31)25(34)32-23(27-19)13-20(28-32)16-6-4-3-5-7-16/h3-9,12-13,28H,10-11,14-15H2,1-2H3

InChI Key

KWJGBFBHMLIBLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29033160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.58

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.981

Distribution Coefficient, logD

0.980

Water Solubility, LogSw

-2.51

Polar Surface Area

111.968

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

S022-1766 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)

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 S022-1766 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of S022-1766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S022-1766
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S022-1766
  • 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 S022-1766 available by request