K618-0002 Screening compound: N~1~-(3-acetylphenyl)-3-nitro-4-[2-(3-pyridyl)piperidino]benzamide

K618-0002 Screening compound: N~1~-(3-acetylphenyl)-3-nitro-4-[2-(3-pyridyl)piperidino]benzamide
K618-0002 Screening compound: N~1~-(3-acetylphenyl)-3-nitro-4-[2-(3-pyridyl)piperidino]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K618-0002
N~1~-(3-acetylphenyl)-3-nitro-4-[2-(3-pyridyl)piperidino]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

K618-0002

Molecular Formula

C25H24N4O4 (C25 H24 N4 O4)

Compound Name

N~1~-(3-acetylphenyl)-3-nitro-4-[2-(3-pyridyl)piperidino]benzamide

IUPAC name

n/a

SMILES

CC(c1cccc(NC(c(cc2)cc([N+]([O-])=O)c2N(CCCC2)C2c2cnccc2)=O)c1)=O

InChI

InChI=1S/C25H24N4O4/c1-17(30)18-6-4-8-21(14-18)27-25(31)19-10-11-23(24(15-19)29(32)33)28-13-3-2-9-22(28)20-7-5-12-26-16-20/h4-8,10-12,14-16,22H,2-3,9,13H2,1H3,(H,27,31)/t22-/m0/s1

InChI Key

OAJYYAVVDFUVQE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02936001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.440

Distribution Coefficient, logD

3.369

Water Solubility, LogSw

-3.52

Polar Surface Area

82.329

Acid Dissociation Constant (pKa)

8.15

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

K618-0002 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 K618-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K618-0002?
Check Price and Availability of K618-0002, 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 K618-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K618-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K618-0002
  • 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 K618-0002 available by request