K978-0584 Screening compound: 3-[(4-methylphenyl)sulfonyl]-1-(4-methylpiperidino)-1-propanone

K978-0584 Screening compound: 3-[(4-methylphenyl)sulfonyl]-1-(4-methylpiperidino)-1-propanone
K978-0584 Screening compound: 3-[(4-methylphenyl)sulfonyl]-1-(4-methylpiperidino)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-0584
3-[(4-methylphenyl)sulfonyl]-1-(4-methylpiperidino)-1-propanone

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

K978-0584

Molecular Formula

C16H23NO3S (C16 H23 NO3 S)

Compound Name

3-[(4-methylphenyl)sulfonyl]-1-(4-methylpiperidino)-1-propanone

IUPAC name

3-(4-methylbenzenesulfonyl)-1-(4-methylpiperidin-1-yl)propan-1-one

SMILES

CC(CC1)CCN1C(CCS(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C16H23NO3S/c1-13-3-5-15(6-4-13)21(19,20)12-9-16(18)17-10-7-14(2)8-11-17/h3-6,14H,7-12H2,1-2H3

InChI Key

TYJVMKNLOIFVEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14879977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.197

Distribution Coefficient, logD

2.197

Water Solubility, LogSw

-2.45

Polar Surface Area

45.396

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

References: we are preparing a list of scientific research reports with K978-0584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-0584?
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What is the minimum amount of K978-0584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-0584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-0584
  • 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 K978-0584 available by request