8013-5777 Screening compound: N-{2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl}-2-ethoxybenzamide

8013-5777 Screening compound: N-{2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl}-2-ethoxybenzamide
8013-5777 Screening compound: N-{2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl}-2-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5777
N-{2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl}-2-ethoxybenzamide

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

8013-5777

Molecular Formula

C20H15F6N3O5 (C20 H15 F6 N3 O5)

Compound Name

N-{2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl}-2-ethoxybenzamide

IUPAC name

N-{25-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl}-2-ethoxybenzamide

SMILES

CCOc(cccc1)c1C(NC(C(F)(F)F)(C(N1c(cc2)ccc2OC(F)(F)F)=O)NC1=O)=O

InChI

InChI=1S/C20H15F6N3O5/c1-2-33-14-6-4-3-5-13(14)15(30)27-18(19(21,22)23)16(31)29(17(32)28-18)11-7-9-12(10-8-11)34-20(24,25)26/h3-10H,2H2,1H3,(H,27,30)(H,28,32)/t18-/m1/s1

InChI Key

TYDKFKXLUZKKBS-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03766851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.041

Distribution Coefficient, logD

0.102

Water Solubility, LogSw

-4.24

Polar Surface Area

78.333

Acid Dissociation Constant (pKa)

3.46

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8013-5777 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-5777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5777?
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What is the minimum amount of 8013-5777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5777
  • 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 8013-5777 available by request