S020-2631 Screening compound: 7-(isoquinoline-1-carbonyl)-2-(4-methoxyphenyl)-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one

S020-2631 Screening compound: 7-(isoquinoline-1-carbonyl)-2-(4-methoxyphenyl)-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
S020-2631 Screening compound: 7-(isoquinoline-1-carbonyl)-2-(4-methoxyphenyl)-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S020-2631
7-(isoquinoline-1-carbonyl)-2-(4-methoxyphenyl)-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-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

S020-2631

Molecular Formula

C24H20N4O3 (C24 H20 N4 O3)

Compound Name

7-(isoquinoline-1-carbonyl)-2-(4-methoxyphenyl)-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one

IUPAC name

7-(isoquinoline-1-carbonyl)-2-(4-methoxyphenyl)-1H4H5H6H7H8H-pyrido[34-d]pyrimidin-4-one

SMILES

COc(cc1)ccc1C(NC(C1)=C2CCN1C(c1nccc3ccccc13)=O)=NC2=O

InChI

InChI=1S/C24H20N4O3/c1-31-17-8-6-16(7-9-17)22-26-20-14-28(13-11-19(20)23(29)27-22)24(30)21-18-5-3-2-4-15(18)10-12-25-21/h2-10,12H,11,13-14H2,1H3,(H,26,27,29)

InChI Key

YGQWZTOSIGDYRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.503

Distribution Coefficient, logD

0.853

Water Solubility, LogSw

-2.93

Polar Surface Area

68.342

Acid Dissociation Constant (pKa)

5.76

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

S020-2631 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

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

Protein Arginine Methyltransferases Library (27925 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:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Targets:
  • Others

References: we are preparing a list of scientific research reports with S020-2631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S020-2631?
Check Price and Availability of S020-2631, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S020-2631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S020-2631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S020-2631
  • 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 S020-2631 available by request