8020-4595 Screening compound: methyl 6-[(2,3-dihydro-1H-indol-1-yl)methyl]-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8020-4595 Screening compound: methyl 6-[(2,3-dihydro-1H-indol-1-yl)methyl]-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8020-4595 Screening compound: methyl 6-[(2,3-dihydro-1H-indol-1-yl)methyl]-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4595
methyl 6-[(2,3-dihydro-1H-indol-1-yl)methyl]-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

8020-4595

Molecular Formula

C23H25N3O3 (C23 H25 N3 O3)

Compound Name

methyl 6-[(2,3-dihydro-1H-indol-1-yl)methyl]-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 6-[(23-dihydro-1H-indol-1-yl)methyl]-4-(25-dimethylphenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

Cc1cc(C(C(C(OC)=O)=C(CN(CC2)c3c2cccc3)N2)NC2=O)c(C)cc1

InChI

InChI=1S/C23H25N3O3/c1-14-8-9-15(2)17(12-14)21-20(22(27)29-3)18(24-23(28)25-21)13-26-11-10-16-6-4-5-7-19(16)26/h4-9,12,21H,10-11,13H2,1-3H3,(H2,24,25,28)/t21-/m1/s1

InChI Key

STNXHZAWSYGXEO-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD06632673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.744

Distribution Coefficient, logD

3.744

Water Solubility, LogSw

-3.90

Polar Surface Area

60.401

Acid Dissociation Constant (pKa)

5.32

Base Dissociation Constant (pKb)

7.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

8020-4595 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

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

CNS targets activity set (6557 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-4595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4595?
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What is the minimum amount of 8020-4595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4595
  • 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 8020-4595 available by request