S020-2822 Screening compound: methyl 2-{[2-(4-methoxyphenyl)-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl]amino}-3-methylbutanoate

S020-2822 Screening compound: methyl 2-{[2-(4-methoxyphenyl)-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl]amino}-3-methylbutanoate
S020-2822 Screening compound: methyl 2-{[2-(4-methoxyphenyl)-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl]amino}-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S020-2822
methyl 2-{[2-(4-methoxyphenyl)-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl]amino}-3-methylbutanoate

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

S020-2822

Molecular Formula

C21H26N4O5 (C21 H26 N4 O5)

Compound Name

methyl 2-{[2-(4-methoxyphenyl)-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl]amino}-3-methylbutanoate

IUPAC name

methyl 2-{[2-(4-methoxyphenyl)-4-oxo-1H4H5H6H7H8H-pyrido[34-d]pyrimidine-7-carbonyl]amino}-3-methylbutanoate

SMILES

CC(C)C(C(OC)=O)NC(N(CC1)CC(NC(c(cc2)ccc2OC)=N2)=C1C2=O)=O

InChI

InChI=1S/C21H26N4O5/c1-12(2)17(20(27)30-4)23-21(28)25-10-9-15-16(11-25)22-18(24-19(15)26)13-5-7-14(29-3)8-6-13/h5-8,12,17H,9-11H2,1-4H3,(H,23,28)(H,22,24,26)/t17-/m0/s1

InChI Key

ZEQPXUFRKGMAFG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29029486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.169

Distribution Coefficient, logD

0.557

Water Solubility, LogSw

-2.75

Polar Surface Area

89.736

Acid Dissociation Constant (pKa)

5.80

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

S020-2822 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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:
  • Antiviral
  • Infections
  • Immune system
  • 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 S020-2822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S020-2822?
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What is the minimum amount of S020-2822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S020-2822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S020-2822
  • 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 S020-2822 available by request