S021-0312 Screening compound: N~6~-(2,3-dihydro-1H-inden-5-yl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide

S021-0312 Screening compound: N~6~-(2,3-dihydro-1H-inden-5-yl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide
S021-0312 Screening compound: N~6~-(2,3-dihydro-1H-inden-5-yl)-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 S021-0312
N~6~-(2,3-dihydro-1H-inden-5-yl)-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

S021-0312

Molecular Formula

C19H19N5O2 (C19 H19 N5 O2)

Compound Name

N~6~-(2,3-dihydro-1H-inden-5-yl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide

IUPAC name

N-(23-dihydro-1H-inden-5-yl)-8-oxo-26712-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-triene-12-carboxamide

SMILES

O=C(Nc1cc(CCC2)c2cc1)N(CC1)CC(N=C2N3NC=C2)=C1C3=O

InChI

InChI=1S/C19H19N5O2/c25-18-15-7-9-23(11-16(15)22-17-6-8-20-24(17)18)19(26)21-14-5-4-12-2-1-3-13(12)10-14/h4-6,8,10,20H,1-3,7,9,11H2,(H,21,26)

InChI Key

KQOPMOOKZQNTLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.181

Distribution Coefficient, logD

1.181

Water Solubility, LogSw

-2.17

Polar Surface Area

64.123

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

S021-0312 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 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
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S021-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-0312?
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What is the minimum amount of S021-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-0312
  • 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 S021-0312 available by request