K786-0972 Screening compound: 2-(3,4-dimethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)quinoline

K786-0972 Screening compound: 2-(3,4-dimethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)quinoline
K786-0972 Screening compound: 2-(3,4-dimethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0972
2-(3,4-dimethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)quinoline

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

K786-0972

Molecular Formula

C28H27N3O (C28 H27 N3 O)

Compound Name

2-(3,4-dimethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)quinoline

IUPAC name

2-(34-dimethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)quinoline

SMILES

Cc(cc1)c(C)cc1-c1nc2ccccc2c(C(N(CC2)CCN2c2ccccc2)=O)c1

InChI

InChI=1S/C28H27N3O/c1-20-12-13-22(18-21(20)2)27-19-25(24-10-6-7-11-26(24)29-27)28(32)31-16-14-30(15-17-31)23-8-4-3-5-9-23/h3-13,18-19H,14-17H2,1-2H3

InChI Key

NJJNWOJGCQOMSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01359251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.279

Distribution Coefficient, logD

6.276

Water Solubility, LogSw

-5.69

Polar Surface Area

28.206

Acid Dissociation Constant (pKa)

28.01

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

K786-0972 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K786-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0972?
Check Price and Availability of K786-0972, 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 K786-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0972
  • 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 K786-0972 available by request