E611-0051 Screening compound: ethyl 6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

E611-0051 Screening compound: ethyl 6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
E611-0051 Screening compound: ethyl 6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E611-0051
ethyl 6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-(4-methoxyphenyl)-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

E611-0051

Molecular Formula

C25H29FN4O4 (C25 H29 FN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c(cc1)ccc1OC)N1)=C(CN(CC2)CCN2c(cccc2)c2F)NC1=O)=O

InChI

InChI=1S/C25H29FN4O4/c1-3-34-24(31)22-20(27-25(32)28-23(22)17-8-10-18(33-2)11-9-17)16-29-12-14-30(15-13-29)21-7-5-4-6-19(21)26/h4-11,23H,3,12-16H2,1-2H3,(H2,27,28,32)/t23-/m1/s1

InChI Key

DDKALAIBTZCORZ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14903263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.924

Distribution Coefficient, logD

2.924

Water Solubility, LogSw

-3.35

Polar Surface Area

71.288

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

9.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

E611-0051 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 E611-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E611-0051?
Check Price and Availability of E611-0051, 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 E611-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E611-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E611-0051
  • 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 E611-0051 available by request