8019-0977 Screening compound: N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide

8019-0977 Screening compound: N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide
8019-0977 Screening compound: N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0977
N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide

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

8019-0977

Molecular Formula

C21H20F3N3O3 (C21 H20 F3 N3 O3)

Compound Name

N-[2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide

IUPAC name

N-[25-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide

SMILES

O=C(CCc1ccccc1)NC(C(F)(F)F)(C(N1CCc2ccccc2)=O)NC1=O

InChI

InChI=1S/C21H20F3N3O3/c22-21(23,24)20(25-17(28)12-11-15-7-3-1-4-8-15)18(29)27(19(30)26-20)14-13-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,25,28)(H,26,30)/t20-/m1/s1

InChI Key

SXRJLSHQXIZGBE-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD09064104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.413

Distribution Coefficient, logD

1.136

Water Solubility, LogSw

-3.55

Polar Surface Area

65.562

Acid Dissociation Constant (pKa)

5.13

Base Dissociation Constant (pKb)

-6.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

8019-0977 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Anti-HIV1 Library (19540 compounds)

Antibacterial Compounds Library (13827 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-0977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0977?
Check Price and Availability of 8019-0977, 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 8019-0977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0977
  • 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 8019-0977 available by request