8602-0033 Screening compound: 4-amino-N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}benzene-1-sulfonamide

8602-0033 Screening compound: 4-amino-N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}benzene-1-sulfonamide
8602-0033 Screening compound: 4-amino-N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8602-0033
4-amino-N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl}benzene-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

8602-0033

Molecular Formula

C20H21F3N4O6S (C20 H21 F3 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CCN(C(C(C(F)(F)F)(NS(c(cc1)ccc1N)(=O)=O)N1)=O)C1=O)c1)c1OC

InChI

InChI=1S/C20H21F3N4O6S/c1-32-15-8-3-12(11-16(15)33-2)9-10-27-17(28)19(20(21,22)23,25-18(27)29)26-34(30,31)14-6-4-13(24)5-7-14/h3-8,11,26H,9-10,24H2,1-2H3,(H,25,29)/t19-/m0/s1

InChI Key

QOTROLUONYZPIS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD06002426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.328

Distribution Coefficient, logD

-0.982

Water Solubility, LogSw

-2.56

Polar Surface Area

119.401

Acid Dissociation Constant (pKa)

5.09

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8602-0033 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8602-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8602-0033?
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What is the minimum amount of 8602-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0033
  • 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 8602-0033 available by request