S021-2170 Screening compound: N~1~-(4-{2-[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]-2-oxoethyl}phenyl)acetamide

S021-2170 Screening compound: N~1~-(4-{2-[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]-2-oxoethyl}phenyl)acetamide
S021-2170 Screening compound: N~1~-(4-{2-[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]-2-oxoethyl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S021-2170
N~1~-(4-{2-[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]-2-oxoethyl}phenyl)acetamide

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

S021-2170

Molecular Formula

C25H22ClN5O3 (C25 H22 ClN5 O3)

Compound Name

N~1~-(4-{2-[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]-2-oxoethyl}phenyl)acetamide

IUPAC name

N-(4-{2-[5-(2-chlorophenyl)-8-oxo-26712-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-12-yl]-2-oxoethyl}phenyl)acetamide

SMILES

CC(Nc1ccc(CC(N(CC2)CC(N=C3N4NC(c(cccc5)c5Cl)=C3)=C2C4=O)=O)cc1)=O

InChI

InChI=1S/C25H22ClN5O3/c1-15(32)27-17-8-6-16(7-9-17)12-24(33)30-11-10-19-22(14-30)28-23-13-21(29-31(23)25(19)34)18-4-2-3-5-20(18)26/h2-9,13,29H,10-12,14H2,1H3,(H,27,32)

InChI Key

FILYOMXPJLYWLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29033107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.264

Distribution Coefficient, logD

2.263

Water Solubility, LogSw

-3.52

Polar Surface Area

79.528

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

S021-2170 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S021-2170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-2170?
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What is the minimum amount of S021-2170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-2170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-2170
  • 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 S021-2170 available by request