K786-1016 Screening compound: 2-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-(propan-2-yl)quinoline

K786-1016 Screening compound: 2-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-(propan-2-yl)quinoline
K786-1016 Screening compound: 2-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-(propan-2-yl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-1016
2-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-(propan-2-yl)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

K786-1016

Molecular Formula

C31H33N3O3 (C31 H33 N3 O3)

Compound Name

2-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-(propan-2-yl)quinoline

IUPAC name

2-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-(propan-2-yl)quinoline

SMILES

CC(C)c(cc1c(C(N(CC2)CCN2c(cccc2)c2OC)=O)c2)ccc1nc2-c(cc1)ccc1OC

InChI

InChI=1S/C31H33N3O3/c1-21(2)23-11-14-27-25(19-23)26(20-28(32-27)22-9-12-24(36-3)13-10-22)31(35)34-17-15-33(16-18-34)29-7-5-6-8-30(29)37-4/h5-14,19-21H,15-18H2,1-4H3

InChI Key

BHZJNTVUQIEDKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.855

Distribution Coefficient, logD

6.852

Water Solubility, LogSw

-5.75

Polar Surface Area

43.079

Acid Dissociation Constant (pKa)

21.99

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

K786-1016 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with K786-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-1016?
Check Price and Availability of K786-1016, 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 K786-1016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-1016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-1016
  • 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 K786-1016 available by request