S020-2453 Screening compound: N-(4-CHLORO-2-METHYLPHENYL)-2-(4-FLUOROPHENYL)-4-OXO-4,5,6,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE-7(1H)-CARBOXAMIDE

S020-2453 Screening compound: N-(4-CHLORO-2-METHYLPHENYL)-2-(4-FLUOROPHENYL)-4-OXO-4,5,6,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE-7(1H)-CARBOXAMIDE
S020-2453 Screening compound: N-(4-CHLORO-2-METHYLPHENYL)-2-(4-FLUOROPHENYL)-4-OXO-4,5,6,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE-7(1H)-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S020-2453
N-(4-CHLORO-2-METHYLPHENYL)-2-(4-FLUOROPHENYL)-4-OXO-4,5,6,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE-7(1H)-CARBOXAMIDE

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

S020-2453

Molecular Formula

C21H18ClFN4O2 (C21 H18 ClFN4 O2)

Compound Name

N-(4-CHLORO-2-METHYLPHENYL)-2-(4-FLUOROPHENYL)-4-OXO-4,5,6,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE-7(1H)-CARBOXAMIDE

IUPAC name

n/a

SMILES

Cc(cc(cc1)Cl)c1NC(N(CC1)CC(NC(c(cc2)ccc2F)=N2)=C1C2=O)=O

InChI

InChI=1S/C21H18ClFN4O2/c1-12-10-14(22)4-7-17(12)25-21(29)27-9-8-16-18(11-27)24-19(26-20(16)28)13-2-5-15(23)6-3-13/h2-7,10H,8-9,11H2,1H3,(H,25,29)(H,24,26,28)

InChI Key

ZVRJAEABNIPIMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.886

Distribution Coefficient, logD

1.132

Water Solubility, LogSw

-4.29

Polar Surface Area

59.374

Acid Dissociation Constant (pKa)

4.65

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

S020-2453 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Targets:
  • Others

References: we are preparing a list of scientific research reports with S020-2453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S020-2453?
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What is the minimum amount of S020-2453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S020-2453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S020-2453
  • 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 S020-2453 available by request