S021-0317 Screening compound: N~6~-[4-(methylsulfanyl)phenyl]-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide

S021-0317 Screening compound: N~6~-[4-(methylsulfanyl)phenyl]-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide
S021-0317 Screening compound: N~6~-[4-(methylsulfanyl)phenyl]-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S021-0317
N~6~-[4-(methylsulfanyl)phenyl]-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide

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

S021-0317

Molecular Formula

C17H17N5O2S (C17 H17 N5 O2 S)

Compound Name

N~6~-[4-(methylsulfanyl)phenyl]-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide

IUPAC name

N-[4-(methylsulfanyl)phenyl]-8-oxo-26712-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-triene-12-carboxamide

SMILES

CSc(cc1)ccc1NC(N(CC1)CC(N=C2N3NC=C2)=C1C3=O)=O

InChI

InChI=1S/C17H17N5O2S/c1-25-12-4-2-11(3-5-12)19-17(24)21-9-7-13-14(10-21)20-15-6-8-18-22(15)16(13)23/h2-6,8,18H,7,9-10H2,1H3,(H,19,24)

InChI Key

KBGCSDBBLVRYNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.087

Distribution Coefficient, logD

1.087

Water Solubility, LogSw

-2.34

Polar Surface Area

63.837

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

S021-0317 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 S021-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-0317?
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What is the minimum amount of S021-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-0317
  • 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 S021-0317 available by request