8610-0546 Screening compound: 4-bromo-N-(2-{[2,3,5-trifluoro-6-(2-methylpiperidin-1-yl)pyridin-4-yl]sulfonyl}ethyl)aniline

8610-0546 Screening compound: 4-bromo-N-(2-{[2,3,5-trifluoro-6-(2-methylpiperidin-1-yl)pyridin-4-yl]sulfonyl}ethyl)aniline
8610-0546 Screening compound: 4-bromo-N-(2-{[2,3,5-trifluoro-6-(2-methylpiperidin-1-yl)pyridin-4-yl]sulfonyl}ethyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8610-0546
4-bromo-N-(2-{[2,3,5-trifluoro-6-(2-methylpiperidin-1-yl)pyridin-4-yl]sulfonyl}ethyl)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

8610-0546

Molecular Formula

C19H21BrF3N3O2S (C19 H21 BrF3 N3 O2 S)

Compound Name

4-bromo-N-(2-{[2,3,5-trifluoro-6-(2-methylpiperidin-1-yl)pyridin-4-yl]sulfonyl}ethyl)aniline

IUPAC name

4-bromo-N-(2-{[235-trifluoro-6-(2-methylpiperidin-1-yl)pyridin-4-yl]sulfonyl}ethyl)aniline

SMILES

CC(CCCC1)N1c(nc(c(F)c1S(CCNc(cc2)ccc2Br)(=O)=O)F)c1F

InChI

InChI=1S/C19H21BrF3N3O2S/c1-12-4-2-3-10-26(12)19-16(22)17(15(21)18(23)25-19)29(27,28)11-9-24-14-7-5-13(20)6-8-14/h5-8,12,24H,2-4,9-11H2,1H3/t12-/m0/s1

InChI Key

WMKAAVWOCFJUFP-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD08053785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.881

Distribution Coefficient, logD

4.881

Water Solubility, LogSw

-4.48

Polar Surface Area

53.289

Acid Dissociation Constant (pKa)

19.49

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

8610-0546 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8610-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8610-0546?
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What is the minimum amount of 8610-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0546
  • 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 8610-0546 available by request