3028-4986 Screening compound: prop-2-en-1-yl 4-(4-ethylphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

3028-4986 Screening compound: prop-2-en-1-yl 4-(4-ethylphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3028-4986 Screening compound: prop-2-en-1-yl 4-(4-ethylphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3028-4986
prop-2-en-1-yl 4-(4-ethylphenyl)-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

3028-4986

Molecular Formula

C17H20N2O3 (C17 H20 N2 O3)

Compound Name

prop-2-en-1-yl 4-(4-ethylphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

prop-2-en-1-yl 4-(4-ethylphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCc1ccc(C(C(C(OCC=C)=O)=C(C)N2)NC2=O)cc1

InChI

InChI=1S/C17H20N2O3/c1-4-10-22-16(20)14-11(3)18-17(21)19-15(14)13-8-6-12(5-2)7-9-13/h4,6-9,15H,1,5,10H2,2-3H3,(H2,18,19,21)/t15-/m1/s1

InChI Key

RNFXMLZWJNRRBY-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01192255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.480

Distribution Coefficient, logD

2.391

Water Solubility, LogSw

-2.95

Polar Surface Area

56.739

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

3028-4986 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3028-4986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3028-4986?
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What is the minimum amount of 3028-4986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3028-4986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3028-4986
  • 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 3028-4986 available by request