S020-0029 Screening compound: 7-[2-(3-methoxyphenyl)acetyl]-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one

S020-0029 Screening compound: 7-[2-(3-methoxyphenyl)acetyl]-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
S020-0029 Screening compound: 7-[2-(3-methoxyphenyl)acetyl]-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S020-0029
7-[2-(3-methoxyphenyl)acetyl]-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

S020-0029

Molecular Formula

C16H17N3O3 (C16 H17 N3 O3)

Compound Name

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

IUPAC name

n/a

SMILES

COc1cccc(CC(N(CC2)CC(NC=N3)=C2C3=O)=O)c1

InChI

InChI=1S/C16H17N3O3/c1-22-12-4-2-3-11(7-12)8-15(20)19-6-5-13-14(9-19)17-10-18-16(13)21/h2-4,7,10H,5-6,8-9H2,1H3,(H,17,18,21)

InChI Key

XFBRCXCXSKGSQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.728

Distribution Coefficient, logD

0.152

Water Solubility, LogSw

-2.04

Polar Surface Area

59.311

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

S020-0029 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S020-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S020-0029?
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What is the minimum amount of S020-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S020-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S020-0029
  • 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 S020-0029 available by request