K788-2585 Screening compound: N-[(4-fluorophenyl)methyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(pyridin-4-yl)quinoline-4-carboxamide

K788-2585 Screening compound: N-[(4-fluorophenyl)methyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(pyridin-4-yl)quinoline-4-carboxamide
K788-2585 Screening compound: N-[(4-fluorophenyl)methyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(pyridin-4-yl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-2585
N-[(4-fluorophenyl)methyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(pyridin-4-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

K788-2585

Molecular Formula

C28H27FN4O3S (C28 H27 FN4 O3 S)

Compound Name

N-[(4-fluorophenyl)methyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(pyridin-4-yl)quinoline-4-carboxamide

IUPAC name

N-[(4-fluorophenyl)methyl]-6-[(4-methylpiperidin-1-yl)sulfonyl]-2-(pyridin-4-yl)quinoline-4-carboxamide

SMILES

CC(CC1)CCN1S(c(ccc1nc(-c2ccncc2)c2)cc1c2C(NCc(cc1)ccc1F)=O)(=O)=O

InChI

InChI=1S/C28H27FN4O3S/c1-19-10-14-33(15-11-19)37(35,36)23-6-7-26-24(16-23)25(17-27(32-26)21-8-12-30-13-9-21)28(34)31-18-20-2-4-22(29)5-3-20/h2-9,12-13,16-17,19H,10-11,14-15,18H2,1H3,(H,31,34)

InChI Key

LHPXJJBJGZESTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.125

Distribution Coefficient, logD

5.124

Water Solubility, LogSw

-4.94

Polar Surface Area

73.850

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K788-2585 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with K788-2585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-2585?
Check Price and Availability of K788-2585, 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 K788-2585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-2585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-2585
  • 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 K788-2585 available by request