4678-1416 Screening compound: methyl 4-[3-(3-chloro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

4678-1416 Screening compound: methyl 4-[3-(3-chloro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
4678-1416 Screening compound: methyl 4-[3-(3-chloro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4678-1416
methyl 4-[3-(3-chloro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-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

4678-1416

Molecular Formula

C23H21ClN4O4 (C23 H21 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(NC1c2cn(-c3ccccc3)nc2-c(cc2)cc(Cl)c2OC)=O)=C1C(OC)=O

InChI

InChI=1S/C23H21ClN4O4/c1-13-19(22(29)32-3)21(26-23(30)25-13)16-12-28(15-7-5-4-6-8-15)27-20(16)14-9-10-18(31-2)17(24)11-14/h4-12,21H,1-3H3,(H2,25,26,30)/t21-/m0/s1

InChI Key

JNOUHXKPQIBVOR-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03295715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.150

Distribution Coefficient, logD

3.021

Water Solubility, LogSw

-3.67

Polar Surface Area

79.128

Acid Dissociation Constant (pKa)

7.86

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

4678-1416 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4678-1416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4678-1416?
Check Price and Availability of 4678-1416, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4678-1416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4678-1416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4678-1416
  • 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 4678-1416 available by request