8013-2717 Screening compound: 4-fluoro-N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

8013-2717 Screening compound: 4-fluoro-N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
8013-2717 Screening compound: 4-fluoro-N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2717
4-fluoro-N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

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

8013-2717

Molecular Formula

C18H13F4N3O4 (C18 H13 F4 N3 O4)

Compound Name

4-fluoro-N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

IUPAC name

4-fluoro-N-[1-(4-methoxyphenyl)-25-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

SMILES

COc(cc1)ccc1N(C(C(C(F)(F)F)(NC(c(cc1)ccc1F)=O)N1)=O)C1=O

InChI

InChI=1S/C18H13F4N3O4/c1-29-13-8-6-12(7-9-13)25-15(27)17(18(20,21)22,24-16(25)28)23-14(26)10-2-4-11(19)5-3-10/h2-9H,1H3,(H,23,26)(H,24,28)/t17-/m1/s1

InChI Key

AXNCORLWGUAQJR-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03764114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.583

Distribution Coefficient, logD

-1.013

Water Solubility, LogSw

-3.14

Polar Surface Area

72.730

Acid Dissociation Constant (pKa)

3.49

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8013-2717 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 8013-2717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2717?
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What is the minimum amount of 8013-2717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2717
  • 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 8013-2717 available by request