7591-0898 Screening compound: 5-propoxy-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

7591-0898 Screening compound: 5-propoxy-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
7591-0898 Screening compound: 5-propoxy-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0898
5-propoxy-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

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

7591-0898

Molecular Formula

C14H12F6N2O3 (C14 H12 F6 N2 O3)

Compound Name

5-propoxy-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

IUPAC name

5-propoxy-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]imidazolidine-24-dione

SMILES

CCCOC(C(F)(F)F)(C(N1c2ccc(C(F)(F)F)cc2)=O)NC1=O

InChI

InChI=1S/C14H12F6N2O3/c1-2-7-25-12(14(18,19)20)10(23)22(11(24)21-12)9-5-3-8(4-6-9)13(15,16)17/h3-6H,2,7H2,1H3,(H,21,24)/t12-/m1/s1

InChI Key

XPSAMGBGMCFFEA-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD14712863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.638

Distribution Coefficient, logD

2.423

Water Solubility, LogSw

-3.77

Polar Surface Area

47.784

Acid Dissociation Constant (pKa)

6.21

Base Dissociation Constant (pKb)

-6.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

7591-0898 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7591-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0898?
Check Price and Availability of 7591-0898, 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 7591-0898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0898
  • 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 7591-0898 available by request