8610-0535 Screening compound: N-(2-{[2-(4-ethylpiperazin-1-yl)-3,5,6-trifluoropyridin-4-yl]sulfonyl}ethyl)-3-(trifluoromethyl)aniline

8610-0535 Screening compound: N-(2-{[2-(4-ethylpiperazin-1-yl)-3,5,6-trifluoropyridin-4-yl]sulfonyl}ethyl)-3-(trifluoromethyl)aniline
8610-0535 Screening compound: N-(2-{[2-(4-ethylpiperazin-1-yl)-3,5,6-trifluoropyridin-4-yl]sulfonyl}ethyl)-3-(trifluoromethyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8610-0535
N-(2-{[2-(4-ethylpiperazin-1-yl)-3,5,6-trifluoropyridin-4-yl]sulfonyl}ethyl)-3-(trifluoromethyl)aniline

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

8610-0535

Molecular Formula

C20H22F6N4O2S (C20 H22 F6 N4 O2 S)

Compound Name

N-(2-{[2-(4-ethylpiperazin-1-yl)-3,5,6-trifluoropyridin-4-yl]sulfonyl}ethyl)-3-(trifluoromethyl)aniline

IUPAC name

N-(2-{[2-(4-ethylpiperazin-1-yl)-356-trifluoropyridin-4-yl]sulfonyl}ethyl)-3-(trifluoromethyl)aniline

SMILES

CCN(CC1)CCN1c(nc(c(F)c1S(CCNc2cc(C(F)(F)F)ccc2)(=O)=O)F)c1F

InChI

InChI=1S/C20H22F6N4O2S/c1-2-29-7-9-30(10-8-29)19-16(22)17(15(21)18(23)28-19)33(31,32)11-6-27-14-5-3-4-13(12-14)20(24,25)26/h3-5,12,27H,2,6-11H2,1H3

InChI Key

AKYAKAANPQFBHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08053774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.114

Distribution Coefficient, logD

3.708

Water Solubility, LogSw

-4.09

Polar Surface Area

57.541

Acid Dissociation Constant (pKa)

18.88

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

8610-0535 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8610-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0535?
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What is the minimum amount of 8610-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0535
  • 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 8610-0535 available by request