E733-0030 Screening compound: ethyl 4-(4-fluorophenyl)-2-oxo-6-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

E733-0030 Screening compound: ethyl 4-(4-fluorophenyl)-2-oxo-6-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
E733-0030 Screening compound: ethyl 4-(4-fluorophenyl)-2-oxo-6-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E733-0030
ethyl 4-(4-fluorophenyl)-2-oxo-6-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)methyl]-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

E733-0030

Molecular Formula

C25H26FN3O3 (C25 H26 FN3 O3)

Compound Name

ethyl 4-(4-fluorophenyl)-2-oxo-6-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(4-fluorophenyl)-2-oxo-6-[(4-phenyl-1236-tetrahydropyridin-1-yl)methyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1F)N1)=C(CN(CC2)CC=C2c2ccccc2)NC1=O)=O

InChI

InChI=1S/C25H26FN3O3/c1-2-32-24(30)22-21(27-25(31)28-23(22)19-8-10-20(26)11-9-19)16-29-14-12-18(13-15-29)17-6-4-3-5-7-17/h3-12,23H,2,13-16H2,1H3,(H2,27,28,31)/t23-/m0/s1

InChI Key

VQQMJNDBQRTRSV-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14913374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.770

Distribution Coefficient, logD

2.886

Water Solubility, LogSw

-3.80

Polar Surface Area

60.513

Acid Dissociation Constant (pKa)

5.73

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

E733-0030 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E733-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E733-0030?
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What is the minimum amount of E733-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E733-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E733-0030
  • 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 E733-0030 available by request