7591-0452 Screening compound: N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}-2-methoxybenzamide

7591-0452 Screening compound: N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}-2-methoxybenzamide
7591-0452 Screening compound: N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0452
N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}-2-methoxybenzamide

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

7591-0452

Molecular Formula

C22H22F3N3O6 (C22 H22 F3 N3 O6)

Compound Name

N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}-2-methoxybenzamide

IUPAC name

N-{1-[2-(34-dimethoxyphenyl)ethyl]-25-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}-2-methoxybenzamide

SMILES

COc(cccc1)c1C(NC(C(F)(F)F)(C(N1CCc(cc2)cc(OC)c2OC)=O)NC1=O)=O

InChI

InChI=1S/C22H22F3N3O6/c1-32-15-7-5-4-6-14(15)18(29)26-21(22(23,24)25)19(30)28(20(31)27-21)11-10-13-8-9-16(33-2)17(12-13)34-3/h4-9,12H,10-11H2,1-3H3,(H,26,29)(H,27,31)/t21-/m1/s1

InChI Key

PEKANPMKPYNHGK-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD04172523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.406

Distribution Coefficient, logD

-0.324

Water Solubility, LogSw

-3.21

Polar Surface Area

88.667

Acid Dissociation Constant (pKa)

4.67

Base Dissociation Constant (pKb)

-6.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

7591-0452 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7591-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0452?
Check Price and Availability of 7591-0452, 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 7591-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0452
  • 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 7591-0452 available by request