7591-0760 Screening compound: N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}-4-methoxybenzene-1-sulfonamide

7591-0760 Screening compound: N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}-4-methoxybenzene-1-sulfonamide
7591-0760 Screening compound: N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}-4-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0760
N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}-4-methoxybenzene-1-sulfonamide

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

7591-0760

Molecular Formula

C21H22F3N3O7S (C21 H22 F3 N3 O7 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1S(NC(C(F)(F)F)(C(N1CCc(cc2)cc(OC)c2OC)=O)NC1=O)(=O)=O

InChI

InChI=1S/C21H22F3N3O7S/c1-32-14-5-7-15(8-6-14)35(30,31)26-20(21(22,23)24)18(28)27(19(29)25-20)11-10-13-4-9-16(33-2)17(12-13)34-3/h4-9,12,26H,10-11H2,1-3H3,(H,25,29)/t20-/m0/s1

InChI Key

KTGBBDLQDXYPFD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14712844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.403

Distribution Coefficient, logD

0.685

Water Solubility, LogSw

-3.14

Polar Surface Area

106.139

Acid Dissociation Constant (pKa)

5.69

Base Dissociation Constant (pKb)

-8.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

7591-0760 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)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 7591-0760 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0760?
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What is the minimum amount of 7591-0760 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0760
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0760
  • 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 7591-0760 available by request