S021-0079 Screening compound: 6-[2-(1H-indol-3-yl)acetyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one

S021-0079 Screening compound: 6-[2-(1H-indol-3-yl)acetyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
S021-0079 Screening compound: 6-[2-(1H-indol-3-yl)acetyl]-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 S021-0079
6-[2-(1H-indol-3-yl)acetyl]-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

S021-0079

Molecular Formula

C19H17N5O2 (C19 H17 N5 O2)

Compound Name

6-[2-(1H-indol-3-yl)acetyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one

IUPAC name

12-[2-(1H-indol-3-yl)acetyl]-26712-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-8-one

SMILES

O=C(Cc1c[nH]c2c1cccc2)N(CC1)CC(N=C2N3NC=C2)=C1C3=O

InChI

InChI=1S/C19H17N5O2/c25-18(9-12-10-20-15-4-2-1-3-13(12)15)23-8-6-14-16(11-23)22-17-5-7-21-24(17)19(14)26/h1-5,7,10,20-21H,6,8-9,11H2

InChI Key

KZPIYAKLLAAYJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.38

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

0.512

Distribution Coefficient, logD

0.511

Water Solubility, LogSw

-2.02

Polar Surface Area

64.359

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

S021-0079 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Indole Derivatives (10091 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S021-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-0079?
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What is the minimum amount of S021-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-0079
  • 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 S021-0079 available by request