7591-0830 Screening compound: N-[2,5-dioxo-1-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide

7591-0830 Screening compound: N-[2,5-dioxo-1-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
7591-0830 Screening compound: N-[2,5-dioxo-1-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0830
N-[2,5-dioxo-1-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide

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

7591-0830

Molecular Formula

C17H20F3N3O3 (C17 H20 F3 N3 O3)

Compound Name

N-[2,5-dioxo-1-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide

IUPAC name

N-[25-dioxo-1-(1-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-22-dimethylpropanamide

SMILES

CC(c1ccccc1)N(C(C(C(F)(F)F)(NC(C(C)(C)C)=O)N1)=O)C1=O

InChI

InChI=1S/C17H20F3N3O3/c1-10(11-8-6-5-7-9-11)23-13(25)16(17(18,19)20,22-14(23)26)21-12(24)15(2,3)4/h5-10H,1-4H3,(H,21,24)(H,22,26)

InChI Key

WDZLUOCXZALUGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04088883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.742

Distribution Coefficient, logD

1.586

Water Solubility, LogSw

-3.24

Polar Surface Area

65.410

Acid Dissociation Constant (pKa)

6.28

Base Dissociation Constant (pKb)

-7.33

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.10

7591-0830 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7591-0830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0830?
Check Price and Availability of 7591-0830, 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 7591-0830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0830
  • 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 7591-0830 available by request