S021-1124 Screening compound: methyl 3-({[9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]carbonyl}amino)benzoate

S021-1124 Screening compound: methyl 3-({[9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]carbonyl}amino)benzoate
S021-1124 Screening compound: methyl 3-({[9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S021-1124
methyl 3-({[9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]carbonyl}amino)benzoate

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

S021-1124

Molecular Formula

C24H21N5O4 (C24 H21 N5 O4)

Compound Name

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

IUPAC name

methyl 3-({8-oxo-5-phenyl-26712-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-triene-12-carbonyl}amino)benzoate

SMILES

COC(c1cccc(NC(N(CC2)CC(N=C3N4NC(c5ccccc5)=C3)=C2C4=O)=O)c1)=O

InChI

InChI=1S/C24H21N5O4/c1-33-23(31)16-8-5-9-17(12-16)25-24(32)28-11-10-18-20(14-28)26-21-13-19(27-29(21)22(18)30)15-6-3-2-4-7-15/h2-9,12-13,27H,10-11,14H2,1H3,(H,25,32)

InChI Key

NJXBPBAJVJWVQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.830

Distribution Coefficient, logD

2.830

Water Solubility, LogSw

-3.49

Polar Surface Area

86.788

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

S021-1124 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)

Beyond the Flatland Library sp3 enriched (92988 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 S021-1124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-1124?
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What is the minimum amount of S021-1124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-1124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-1124
  • 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 S021-1124 available by request