K788-5442 Screening compound: N-(2-ethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)quinolin-2-amine

K788-5442 Screening compound: N-(2-ethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)quinolin-2-amine
K788-5442 Screening compound: N-(2-ethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)quinolin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5442
N-(2-ethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)quinolin-2-amine

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

K788-5442

Molecular Formula

C28H28N4O (C28 H28 N4 O)

Compound Name

N-(2-ethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)quinolin-2-amine

IUPAC name

N-(2-ethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)quinolin-2-amine

SMILES

CCc(cccc1)c1Nc1nc2ccccc2c(C(N(CC2)CCN2c2ccccc2)=O)c1

InChI

InChI=1S/C28H28N4O/c1-2-21-10-6-8-14-25(21)29-27-20-24(23-13-7-9-15-26(23)30-27)28(33)32-18-16-31(17-19-32)22-11-4-3-5-12-22/h3-15,20H,2,16-19H2,1H3,(H,29,30)

InChI Key

NEGGUHNBARJBCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.034

Distribution Coefficient, logD

6.032

Water Solubility, LogSw

-5.71

Polar Surface Area

37.259

Acid Dissociation Constant (pKa)

20.61

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

K788-5442 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with K788-5442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5442?
Check Price and Availability of K788-5442, 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 K788-5442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5442
  • 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 K788-5442 available by request