K673-0016 Screening compound: 1-{4-[(2-fluorophenyl)methanesulfonyl]-3-nitrobenzoyl}-4-methylpiperidine

K673-0016 Screening compound: 1-{4-[(2-fluorophenyl)methanesulfonyl]-3-nitrobenzoyl}-4-methylpiperidine
K673-0016 Screening compound: 1-{4-[(2-fluorophenyl)methanesulfonyl]-3-nitrobenzoyl}-4-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K673-0016
1-{4-[(2-fluorophenyl)methanesulfonyl]-3-nitrobenzoyl}-4-methylpiperidine

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

K673-0016

Molecular Formula

C20H21FN2O5S (C20 H21 FN2 O5 S)

Compound Name

1-{4-[(2-fluorophenyl)methanesulfonyl]-3-nitrobenzoyl}-4-methylpiperidine

IUPAC name

1-{4-[(2-fluorophenyl)methanesulfonyl]-3-nitrobenzoyl}-4-methylpiperidine

SMILES

CC(CC1)CCN1C(c(cc1)cc([N+]([O-])=O)c1S(Cc(cccc1)c1F)(=O)=O)=O

InChI

InChI=1S/C20H21FN2O5S/c1-14-8-10-22(11-9-14)20(24)15-6-7-19(18(12-15)23(25)26)29(27,28)13-16-4-2-3-5-17(16)21/h2-7,12,14H,8-11,13H2,1H3

InChI Key

UOKFULZOIZRLSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.660

Distribution Coefficient, logD

3.660

Water Solubility, LogSw

-4.01

Polar Surface Area

78.732

Acid Dissociation Constant (pKa)

19.71

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

K673-0016 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K673-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K673-0016?
Check Price and Availability of K673-0016, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K673-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K673-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K673-0016
  • 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 K673-0016 available by request