K788-1312 Screening compound: N-[2-(diethylamino)ethyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(pyridin-3-yl)quinoline-4-carboxamide

K788-1312 Screening compound: N-[2-(diethylamino)ethyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(pyridin-3-yl)quinoline-4-carboxamide
K788-1312 Screening compound: N-[2-(diethylamino)ethyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(pyridin-3-yl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-1312
N-[2-(diethylamino)ethyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-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

K788-1312

Molecular Formula

C27H35N5O3S (C27 H35 N5 O3 S)

Compound Name

N-[2-(diethylamino)ethyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(pyridin-3-yl)quinoline-4-carboxamide

IUPAC name

N-[2-(diethylamino)ethyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(pyridin-3-yl)quinoline-4-carboxamide

SMILES

CCN(CC)CCNC(c1c(cc(cc2)S(N3CCC(C)CC3)(=O)=O)c2nc(-c2cnccc2)c1)=O

InChI

InChI=1S/C27H35N5O3S/c1-4-31(5-2)16-13-29-27(33)24-18-26(21-7-6-12-28-19-21)30-25-9-8-22(17-23(24)25)36(34,35)32-14-10-20(3)11-15-32/h6-9,12,17-20H,4-5,10-11,13-16H2,1-3H3,(H,29,33)

InChI Key

RWVPLYOLUJLSGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.082

Distribution Coefficient, logD

2.968

Water Solubility, LogSw

-3.82

Polar Surface Area

77.464

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

K788-1312 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K788-1312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-1312?
Check Price and Availability of K788-1312, 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 K788-1312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-1312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-1312
  • 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 K788-1312 available by request