K406-0085 Screening compound: 3-nitro-N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)benzamide

K406-0085 Screening compound: 3-nitro-N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)benzamide
K406-0085 Screening compound: 3-nitro-N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K406-0085
3-nitro-N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)benzamide

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

K406-0085

Molecular Formula

C23H22N4O5S (C23 H22 N4 O5 S)

Compound Name

3-nitro-N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)benzamide

IUPAC name

3-nitro-N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)benzamide

SMILES

[O-][N+](c1cccc(C(Nc(cc2)ccc2S(N(CCCC2)C2c2cnccc2)(=O)=O)=O)c1)=O

InChI

InChI=1S/C23H22N4O5S/c28-23(17-5-3-7-20(15-17)27(29)30)25-19-9-11-21(12-10-19)33(31,32)26-14-2-1-8-22(26)18-6-4-13-24-16-18/h3-7,9-13,15-16,22H,1-2,8,14H2,(H,25,28)/t22-/m0/s1

InChI Key

RPJKYVPKYYUWKZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD04411796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.286

Distribution Coefficient, logD

3.085

Water Solubility, LogSw

-3.44

Polar Surface Area

98.139

Acid Dissociation Constant (pKa)

7.63

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

K406-0085 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with K406-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K406-0085?
Check Price and Availability of K406-0085, 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 K406-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K406-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K406-0085
  • 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 K406-0085 available by request