S020-1159 Screening compound: ethyl 2-[1-({4-oxo-2-phenyl-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl}amino)cyclohexyl]acetate

S020-1159 Screening compound: ethyl 2-[1-({4-oxo-2-phenyl-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl}amino)cyclohexyl]acetate
S020-1159 Screening compound: ethyl 2-[1-({4-oxo-2-phenyl-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl}amino)cyclohexyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound S020-1159
ethyl 2-[1-({4-oxo-2-phenyl-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl}amino)cyclohexyl]acetate

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

S020-1159

Molecular Formula

C24H30N4O4 (C24 H30 N4 O4)

Compound Name

ethyl 2-[1-({4-oxo-2-phenyl-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carbonyl}amino)cyclohexyl]acetate

IUPAC name

ethyl 2-[1-({4-oxo-2-phenyl-1H4H5H6H7H8H-pyrido[34-d]pyrimidine-7-carbonyl}amino)cyclohexyl]acetate

SMILES

CCOC(CC1(CCCCC1)NC(N(CC1)CC(NC(c2ccccc2)=N2)=C1C2=O)=O)=O

InChI

InChI=1S/C24H30N4O4/c1-2-32-20(29)15-24(12-7-4-8-13-24)27-23(31)28-14-11-18-19(16-28)25-21(26-22(18)30)17-9-5-3-6-10-17/h3,5-6,9-10H,2,4,7-8,11-16H2,1H3,(H,27,31)(H,25,26,30)

InChI Key

DQGWAEDXKMUQIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.737

Distribution Coefficient, logD

0.826

Water Solubility, LogSw

-3.04

Polar Surface Area

81.595

Acid Dissociation Constant (pKa)

5.49

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S020-1159 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 S020-1159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S020-1159?
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What is the minimum amount of S020-1159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S020-1159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S020-1159
  • 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 S020-1159 available by request