8610-0521 Screening compound: N-(2-{[2,3,5-trifluoro-6-(4-methylpiperidin-1-yl)pyridin-4-yl]sulfonyl}ethyl)naphthalen-1-amine

8610-0521 Screening compound: N-(2-{[2,3,5-trifluoro-6-(4-methylpiperidin-1-yl)pyridin-4-yl]sulfonyl}ethyl)naphthalen-1-amine
8610-0521 Screening compound: N-(2-{[2,3,5-trifluoro-6-(4-methylpiperidin-1-yl)pyridin-4-yl]sulfonyl}ethyl)naphthalen-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8610-0521
N-(2-{[2,3,5-trifluoro-6-(4-methylpiperidin-1-yl)pyridin-4-yl]sulfonyl}ethyl)naphthalen-1-amine

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

8610-0521

Molecular Formula

C23H24F3N3O2S (C23 H24 F3 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1c(nc(c(F)c1S(CCNc2cccc3ccccc23)(=O)=O)F)c1F

InChI

InChI=1S/C23H24F3N3O2S/c1-15-9-12-29(13-10-15)23-20(25)21(19(24)22(26)28-23)32(30,31)14-11-27-18-8-4-6-16-5-2-3-7-17(16)18/h2-8,15,27H,9-14H2,1H3

InChI Key

CFJBBTRHVSUAAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08053760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.52

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

5.266

Distribution Coefficient, logD

5.266

Water Solubility, LogSw

-6.20

Polar Surface Area

53.035

Acid Dissociation Constant (pKa)

20.57

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

8610-0521 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 8610-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8610-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8610-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8610-0521
  • 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 8610-0521 available by request