4678-1429 Screening compound: methyl 6-methyl-4-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4678-1429 Screening compound: methyl 6-methyl-4-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4678-1429 Screening compound: methyl 6-methyl-4-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4678-1429
methyl 6-methyl-4-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-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

4678-1429

Molecular Formula

C26H28N4O4 (C26 H28 N4 O4)

Compound Name

methyl 6-methyl-4-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

methyl 6-methyl-4-[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCCOc(cc1)c(C)cc1-c(c(C(C(C(OC)=O)=C(C)N1)NC1=O)c1)nn1-c1ccccc1

InChI

InChI=1S/C26H28N4O4/c1-5-13-34-21-12-11-18(14-16(21)2)23-20(15-30(29-23)19-9-7-6-8-10-19)24-22(25(31)33-4)17(3)27-26(32)28-24/h6-12,14-15,24H,5,13H2,1-4H3,(H2,27,28,32)/t24-/m1/s1

InChI Key

NEELYOVHABVRTG-XMMPIXPASA-N

MDL Number (MFCD)

MFCD03667313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.364

Distribution Coefficient, logD

4.236

Water Solubility, LogSw

-4.38

Polar Surface Area

79.002

Acid Dissociation Constant (pKa)

7.86

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

4678-1429 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4678-1429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-1429?
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What is the minimum amount of 4678-1429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-1429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-1429
  • 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 4678-1429 available by request