S022-1763 Screening compound: 3-methyl-6-[(4-{[9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl]carbonyl}piperidino)sulfonyl]-1,3-benzoxazol-2(3H)-one

S022-1763 Screening compound: 3-methyl-6-[(4-{[9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl]carbonyl}piperidino)sulfonyl]-1,3-benzoxazol-2(3H)-one
S022-1763 Screening compound: 3-methyl-6-[(4-{[9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl]carbonyl}piperidino)sulfonyl]-1,3-benzoxazol-2(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S022-1763
3-methyl-6-[(4-{[9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl]carbonyl}piperidino)sulfonyl]-1,3-benzoxazol-2(3H)-one

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

S022-1763

Molecular Formula

C29H28N6O6S (C29 H28 N6 O6 S)

Compound Name

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

IUPAC name

11-{1-[(3-methyl-2-oxo-23-dihydro-13-benzoxazol-6-yl)sulfonyl]piperidine-4-carbonyl}-5-phenyl-26711-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-8-one

SMILES

CN(c(ccc(S(N(CC1)CCC1C(N(CC1)CC(C2=O)=C1N=C1N2NC(c2ccccc2)=C1)=O)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C29H28N6O6S/c1-32-24-8-7-20(15-25(24)41-29(32)38)42(39,40)34-13-9-19(10-14-34)27(36)33-12-11-22-21(17-33)28(37)35-26(30-22)16-23(31-35)18-5-3-2-4-6-18/h2-8,15-16,19,31H,9-14,17H2,1H3

InChI Key

AATHJLXCMKJHSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29033159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.64

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.669

Distribution Coefficient, logD

1.669

Water Solubility, LogSw

-2.75

Polar Surface Area

111.371

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

S022-1763 in Drug Discovery

Included in Screening Libraries

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
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S022-1763 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of S022-1763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S022-1763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S022-1763
  • 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 S022-1763 available by request