K289-0555 Screening compound: 1-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide

K289-0555 Screening compound: 1-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide
K289-0555 Screening compound: 1-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0555
1-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl]piperidine-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

K289-0555

Molecular Formula

C31H31N5O5S (C31 H31 N5 O5 S)

Compound Name

1-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide

IUPAC name

1-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3-phenyl-34-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide

SMILES

CCOc(cc1)ccc1NC(CSC(N1c2ccccc2)=Nc(cc(cc2)C(N(CC3)CCC3C(N)=O)=O)c2C1=O)=O

InChI

InChI=1S/C31H31N5O5S/c1-2-41-24-11-9-22(10-12-24)33-27(37)19-42-31-34-26-18-21(29(39)35-16-14-20(15-17-35)28(32)38)8-13-25(26)30(40)36(31)23-6-4-3-5-7-23/h3-13,18,20H,2,14-17,19H2,1H3,(H2,32,38)(H,33,37)

InChI Key

GKBZVHKQCYUSMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.68

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.350

Distribution Coefficient, logD

2.350

Water Solubility, LogSw

-3.25

Polar Surface Area

106.140

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.80

K289-0555 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Lipid Metabolism Library (9174 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with K289-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0555?
Check Price and Availability of K289-0555, 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 K289-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0555
  • 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 K289-0555 available by request