8013-3604 Screening compound: N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide

8013-3604 Screening compound: N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
8013-3604 Screening compound: N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3604
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide

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

8013-3604

Molecular Formula

C12H9F4N3O3 (C12 H9 F4 N3 O3)

Compound Name

N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide

IUPAC name

N-[1-(4-fluorophenyl)-25-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide

SMILES

CC(NC(C(F)(F)F)(C(N1c(cc2)ccc2F)=O)NC1=O)=O

InChI

InChI=1S/C12H9F4N3O3/c1-6(20)17-11(12(14,15)16)9(21)19(10(22)18-11)8-4-2-7(13)3-5-8/h2-5H,1H3,(H,17,20)(H,18,22)/t11-/m1/s1

InChI Key

FLTJPGZBKXBYPC-LLVKDONJSA-N

MDL Number (MFCD)

MFCD03766200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.949

Distribution Coefficient, logD

-1.684

Water Solubility, LogSw

-1.99

Polar Surface Area

65.357

Acid Dissociation Constant (pKa)

4.77

Base Dissociation Constant (pKb)

-6.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8013-3604 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8013-3604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3604?
Check Price and Availability of 8013-3604, 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 8013-3604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3604
  • 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 8013-3604 available by request