S021-1207 Screening compound: 6-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one

S021-1207 Screening compound: 6-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
S021-1207 Screening compound: 6-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S021-1207
6-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-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

S021-1207

Molecular Formula

C20H20N6O3S (C20 H20 N6 O3 S)

Compound Name

6-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one

IUPAC name

12-[(35-dimethyl-1H-pyrazol-4-yl)sulfonyl]-5-phenyl-26712-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-8-one

SMILES

Cc([nH]nc1C)c1S(N(CC1)CC(N=C2N3NC(c4ccccc4)=C2)=C1C3=O)(=O)=O

InChI

InChI=1S/C20H20N6O3S/c1-12-19(13(2)23-22-12)30(28,29)25-9-8-15-17(11-25)21-18-10-16(24-26(18)20(15)27)14-6-4-3-5-7-14/h3-7,10,24H,8-9,11H2,1-2H3,(H,22,23)

InChI Key

GQYINYXPLMGTMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.204

Distribution Coefficient, logD

1.204

Water Solubility, LogSw

-2.33

Polar Surface Area

95.771

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

S021-1207 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S021-1207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-1207?
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What is the minimum amount of S021-1207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-1207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-1207
  • 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 S021-1207 available by request