S021-1389 Screening compound: 2-(2-chlorophenyl)-6-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one

S021-1389 Screening compound: 2-(2-chlorophenyl)-6-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
S021-1389 Screening compound: 2-(2-chlorophenyl)-6-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-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 S021-1389
2-(2-chlorophenyl)-6-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-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

S021-1389

Molecular Formula

C21H18ClN5O2 (C21 H18 ClN5 O2)

Compound Name

2-(2-chlorophenyl)-6-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one

IUPAC name

5-(2-chlorophenyl)-12-(1-methyl-1H-pyrrole-2-carbonyl)-26712-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-8-one

SMILES

Cn1c(C(N(CC2)CC(N=C3N4NC(c(cccc5)c5Cl)=C3)=C2C4=O)=O)ccc1

InChI

InChI=1S/C21H18ClN5O2/c1-25-9-4-7-18(25)21(29)26-10-8-14-17(12-26)23-19-11-16(24-27(19)20(14)28)13-5-2-3-6-15(13)22/h2-7,9,11,24H,8,10,12H2,1H3

InChI Key

RSQAQKJJFBWONS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.753

Distribution Coefficient, logD

2.752

Water Solubility, LogSw

-3.70

Polar Surface Area

59.211

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

S021-1389 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S021-1389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-1389?
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What is the minimum amount of S021-1389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-1389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-1389
  • 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 S021-1389 available by request