K788-5876 Screening compound: N-[3-(azepan-1-yl)propyl]-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide

K788-5876 Screening compound: N-[3-(azepan-1-yl)propyl]-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide
K788-5876 Screening compound: N-[3-(azepan-1-yl)propyl]-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5876
N-[3-(azepan-1-yl)propyl]-2-[(4-methoxyphenyl)amino]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

K788-5876

Molecular Formula

C26H32N4O2 (C26 H32 N4 O2)

Compound Name

N-[3-(azepan-1-yl)propyl]-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide

IUPAC name

N-[3-(azepan-1-yl)propyl]-2-[(4-methoxyphenyl)amino]quinoline-4-carboxamide

SMILES

COc(cc1)ccc1Nc1nc2ccccc2c(C(NCCCN2CCCCCC2)=O)c1

InChI

InChI=1S/C26H32N4O2/c1-32-21-13-11-20(12-14-21)28-25-19-23(22-9-4-5-10-24(22)29-25)26(31)27-15-8-18-30-16-6-2-3-7-17-30/h4-5,9-14,19H,2-3,6-8,15-18H2,1H3,(H,27,31)(H,28,29)

InChI Key

YBBRFJSCRZUPLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.144

Distribution Coefficient, logD

2.574

Water Solubility, LogSw

-5.10

Polar Surface Area

54.161

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

K788-5876 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K788-5876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5876?
Check Price and Availability of K788-5876, 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 K788-5876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5876
  • 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 K788-5876 available by request