S022-1702 Screening compound: 7-{[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl]carbonyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one

S022-1702 Screening compound: 7-{[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl]carbonyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
S022-1702 Screening compound: 7-{[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl]carbonyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S022-1702
7-{[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl]carbonyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-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

S022-1702

Molecular Formula

C29H27N5O3 (C29 H27 N5 O3)

Compound Name

7-{[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrol-3-yl]carbonyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one

IUPAC name

11-[5-(4-methoxyphenyl)-12-dimethyl-1H-pyrrole-3-carbonyl]-5-phenyl-26711-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-8-one

SMILES

Cc(n(C)c(-c(cc1)ccc1OC)c1)c1C(N(CC1)CC(C2=O)=C1N=C1N2NC(c2ccccc2)=C1)=O

InChI

InChI=1S/C29H27N5O3/c1-18-22(15-26(32(18)2)20-9-11-21(37-3)12-10-20)28(35)33-14-13-24-23(17-33)29(36)34-27(30-24)16-25(31-34)19-7-5-4-6-8-19/h4-12,15-16,31H,13-14,17H2,1-3H3

InChI Key

ZDGZUUYPCQBEDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29033103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.354

Distribution Coefficient, logD

3.354

Water Solubility, LogSw

-3.79

Polar Surface Area

66.098

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

S022-1702 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Eccentric PPI Library (11937 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
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S022-1702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S022-1702?
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What is the minimum amount of S022-1702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S022-1702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S022-1702
  • 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 S022-1702 available by request