C430-5419 Screening compound: ethyl 6-{[4-(butan-2-yl)piperazin-1-yl]methyl}-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C430-5419 Screening compound: ethyl 6-{[4-(butan-2-yl)piperazin-1-yl]methyl}-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
C430-5419 Screening compound: ethyl 6-{[4-(butan-2-yl)piperazin-1-yl]methyl}-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-5419
ethyl 6-{[4-(butan-2-yl)piperazin-1-yl]methyl}-2-oxo-4-[4-(propan-2-yloxy)phenyl]-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

C430-5419

Molecular Formula

C25H38N4O4 (C25 H38 N4 O4)

Compound Name

ethyl 6-{[4-(butan-2-yl)piperazin-1-yl]methyl}-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-{[4-(butan-2-yl)piperazin-1-yl]methyl}-2-oxo-4-[4-(propan-2-yloxy)phenyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCC(C)N1CCN(CC(NC(NC2c(cc3)ccc3OC(C)C)=O)=C2C(OCC)=O)CC1

InChI

InChI=1S/C25H38N4O4/c1-6-18(5)29-14-12-28(13-15-29)16-21-22(24(30)32-7-2)23(27-25(31)26-21)19-8-10-20(11-9-19)33-17(3)4/h8-11,17-18,23H,6-7,12-16H2,1-5H3,(H2,26,27,31)

InChI Key

WYBPONJTGFEZAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.885

Distribution Coefficient, logD

2.885

Water Solubility, LogSw

-3.27

Polar Surface Area

71.036

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

C430-5419 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C430-5419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5419?
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What is the minimum amount of C430-5419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5419
  • 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 C430-5419 available by request