8013-2715 Screening compound: N-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide

8013-2715 Screening compound: N-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide
8013-2715 Screening compound: N-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2715
N-[2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide

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

8013-2715

Molecular Formula

C18H14F3N3O4 (C18 H14 F3 N3 O4)

Compound Name

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

IUPAC name

N-[25-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide

SMILES

COc1cccc(C(NC(C(F)(F)F)(C(N2c3ccccc3)=O)NC2=O)=O)c1

InChI

InChI=1S/C18H14F3N3O4/c1-28-13-9-5-6-11(10-13)14(25)22-17(18(19,20)21)15(26)24(16(27)23-17)12-7-3-2-4-8-12/h2-10H,1H3,(H,22,25)(H,23,27)/t17-/m1/s1

InChI Key

PGIIFYXZWDXXRC-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03764112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.32

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

2.512

Distribution Coefficient, logD

-0.718

Water Solubility, LogSw

-3.11

Polar Surface Area

72.730

Acid Dissociation Constant (pKa)

4.17

Base Dissociation Constant (pKb)

-5.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8013-2715 in Drug Discovery

Included in Screening Libraries

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 8013-2715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2715?
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What is the minimum amount of 8013-2715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2715
  • 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 8013-2715 available by request