K786-9570 Screening compound: N-{2-[bis(2-methylpropyl)amino]ethyl}-2-(pyridin-3-yl)quinoline-4-carboxamide

K786-9570 Screening compound: N-{2-[bis(2-methylpropyl)amino]ethyl}-2-(pyridin-3-yl)quinoline-4-carboxamide
K786-9570 Screening compound: N-{2-[bis(2-methylpropyl)amino]ethyl}-2-(pyridin-3-yl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-9570
N-{2-[bis(2-methylpropyl)amino]ethyl}-2-(pyridin-3-yl)quinoline-4-carboxamide

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

K786-9570

Molecular Formula

C25H32N4O (C25 H32 N4 O)

Compound Name

N-{2-[bis(2-methylpropyl)amino]ethyl}-2-(pyridin-3-yl)quinoline-4-carboxamide

IUPAC name

N-{2-[bis(2-methylpropyl)amino]ethyl}-2-(pyridin-3-yl)quinoline-4-carboxamide

SMILES

CC(C)CN(CCNC(c1cc(-c2cnccc2)nc2ccccc12)=O)CC(C)C

InChI

InChI=1S/C25H32N4O/c1-18(2)16-29(17-19(3)4)13-12-27-25(30)22-14-24(20-8-7-11-26-15-20)28-23-10-6-5-9-21(22)23/h5-11,14-15,18-19H,12-13,16-17H2,1-4H3,(H,27,30)

InChI Key

DBTXOUZFDOVPPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03833943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.891

Distribution Coefficient, logD

3.708

Water Solubility, LogSw

-4.48

Polar Surface Area

46.303

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

8.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

K786-9570 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with K786-9570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-9570?
Check Price and Availability of K786-9570, 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 K786-9570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-9570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-9570
  • 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 K786-9570 available by request