E733-0004 Screening compound: ethyl 6-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

E733-0004 Screening compound: ethyl 6-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
E733-0004 Screening compound: ethyl 6-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E733-0004
ethyl 6-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-4-(4-fluorophenyl)-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

E733-0004

Molecular Formula

C24H26ClFN4O3 (C24 H26 ClFN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c(cc1)ccc1F)N1)=C(CN(CC2)CCN2c(cc2)ccc2Cl)NC1=O)=O

InChI

InChI=1S/C24H26ClFN4O3/c1-2-33-23(31)21-20(27-24(32)28-22(21)16-3-7-18(26)8-4-16)15-29-11-13-30(14-12-29)19-9-5-17(25)6-10-19/h3-10,22H,2,11-15H2,1H3,(H2,27,28,32)/t22-/m1/s1

InChI Key

NXLUOYUUAFEXPJ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14913358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.509

Distribution Coefficient, logD

3.509

Water Solubility, LogSw

-4.24

Polar Surface Area

64.045

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

9.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E733-0004 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with E733-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E733-0004?
Check Price and Availability of E733-0004, 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 E733-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E733-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E733-0004
  • 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 E733-0004 available by request