8019-1418 Screening compound: N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}-3,4-dimethoxybenzamide

8019-1418 Screening compound: N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}-3,4-dimethoxybenzamide
8019-1418 Screening compound: N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1418
N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}-3,4-dimethoxybenzamide

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

8019-1418

Molecular Formula

C23H24F3N3O7 (C23 H24 F3 N3 O7)

Compound Name

N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}-3,4-dimethoxybenzamide

IUPAC name

N-{1-[2-(34-dimethoxyphenyl)ethyl]-25-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}-34-dimethoxybenzamide

SMILES

COc(ccc(CCN(C(C(C(F)(F)F)(NC(c(cc1)cc(OC)c1OC)=O)N1)=O)C1=O)c1)c1OC

InChI

InChI=1S/C23H24F3N3O7/c1-33-15-7-5-13(11-17(15)35-3)9-10-29-20(31)22(23(24,25)26,28-21(29)32)27-19(30)14-6-8-16(34-2)18(12-14)36-4/h5-8,11-12H,9-10H2,1-4H3,(H,27,30)(H,28,32)/t22-/m1/s1

InChI Key

RGNXVNIUOBHCHY-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD06018539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.206

Distribution Coefficient, logD

-0.667

Water Solubility, LogSw

-2.96

Polar Surface Area

96.297

Acid Dissociation Constant (pKa)

4.53

Base Dissociation Constant (pKb)

-6.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

8019-1418 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 8019-1418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1418?
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What is the minimum amount of 8019-1418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1418
  • 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 8019-1418 available by request