C430-5332 Screening compound: ethyl 4-(4-chlorophenyl)-6-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C430-5332 Screening compound: ethyl 4-(4-chlorophenyl)-6-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C430-5332 Screening compound: ethyl 4-(4-chlorophenyl)-6-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-5332
ethyl 4-(4-chlorophenyl)-6-{[4-(furan-2-carbonyl)piperazin-1-yl]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

C430-5332

Molecular Formula

C23H25ClN4O5 (C23 H25 ClN4 O5)

Compound Name

ethyl 4-(4-chlorophenyl)-6-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(4-chlorophenyl)-6-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1Cl)N1)=C(CN(CC2)CCN2C(c2ccco2)=O)NC1=O)=O

InChI

InChI=1S/C23H25ClN4O5/c1-2-32-22(30)19-17(25-23(31)26-20(19)15-5-7-16(24)8-6-15)14-27-9-11-28(12-10-27)21(29)18-4-3-13-33-18/h3-8,13,20H,2,9-12,14H2,1H3,(H2,25,26,31)/t20-/m0/s1

InChI Key

SLWVQTVKVJWHAH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14757000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.931

Distribution Coefficient, logD

1.931

Water Solubility, LogSw

-3.06

Polar Surface Area

85.819

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

C430-5332 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C430-5332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5332?
Check Price and Availability of C430-5332, 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 C430-5332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5332
  • 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 C430-5332 available by request