4483-3459 Screening compound: 2-(4-methoxyphenyl)-2-oxoethyl 4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}butanoate

4483-3459 Screening compound: 2-(4-methoxyphenyl)-2-oxoethyl 4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}butanoate
4483-3459 Screening compound: 2-(4-methoxyphenyl)-2-oxoethyl 4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-3459
2-(4-methoxyphenyl)-2-oxoethyl 4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}butanoate

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

4483-3459

Molecular Formula

C21H19ClF3NO5 (C21 H19 ClF3 NO5)

Compound Name

2-(4-methoxyphenyl)-2-oxoethyl 4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}butanoate

IUPAC name

2-(4-methoxyphenyl)-2-oxoethyl 4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}butanoate

SMILES

COc(cc1)ccc1C(COC(CCCC(Nc(cc(C(F)(F)F)cc1)c1Cl)=O)=O)=O

InChI

InChI=1S/C21H19ClF3NO5/c1-30-15-8-5-13(6-9-15)18(27)12-31-20(29)4-2-3-19(28)26-17-11-14(21(23,24)25)7-10-16(17)22/h5-11H,2-4,12H2,1H3,(H,26,28)

InChI Key

SDXYJICUVPAZAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02763296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.806

Distribution Coefficient, logD

3.746

Water Solubility, LogSw

-4.22

Polar Surface Area

63.743

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4483-3459 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 4483-3459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-3459?
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What is the minimum amount of 4483-3459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-3459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-3459
  • 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 4483-3459 available by request