S021-2320 Screening compound: 6-{[1-(1H-imidazol-4-ylsulfonyl)-4-piperidyl]carbonyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one

S021-2320 Screening compound: 6-{[1-(1H-imidazol-4-ylsulfonyl)-4-piperidyl]carbonyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
S021-2320 Screening compound: 6-{[1-(1H-imidazol-4-ylsulfonyl)-4-piperidyl]carbonyl}-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 S021-2320
6-{[1-(1H-imidazol-4-ylsulfonyl)-4-piperidyl]carbonyl}-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

S021-2320

Molecular Formula

C24H25N7O4S (C24 H25 N7 O4 S)

Compound Name

6-{[1-(1H-imidazol-4-ylsulfonyl)-4-piperidyl]carbonyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one

IUPAC name

12-[1-(1H-imidazole-4-sulfonyl)piperidine-4-carbonyl]-5-phenyl-26712-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-8-one

SMILES

O=C(C(CC1)CCN1S(c1c[nH]cn1)(=O)=O)N(CC1)CC(N=C2N3NC(c4ccccc4)=C2)=C1C3=O

InChI

InChI=1S/C24H25N7O4S/c32-23(17-6-10-30(11-7-17)36(34,35)22-13-25-15-26-22)29-9-8-18-20(14-29)27-21-12-19(28-31(21)24(18)33)16-4-2-1-3-5-16/h1-5,12-13,15,17,28H,6-11,14H2,(H,25,26)

InChI Key

XKVAVXJISXXDDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29033217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.696

Distribution Coefficient, logD

0.696

Water Solubility, LogSw

-2.38

Polar Surface Area

109.578

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

S021-2320 in Drug Discovery

Included in Screening Libraries

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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S021-2320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-2320?
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What is the minimum amount of S021-2320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-2320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-2320
  • 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 S021-2320 available by request