K289-0352 Screening compound: ethyl 2-{[7-(4-carbamoylpiperidine-1-carbonyl)-3-cyclohexyl-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate

K289-0352 Screening compound: ethyl 2-{[7-(4-carbamoylpiperidine-1-carbonyl)-3-cyclohexyl-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate
K289-0352 Screening compound: ethyl 2-{[7-(4-carbamoylpiperidine-1-carbonyl)-3-cyclohexyl-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0352
ethyl 2-{[7-(4-carbamoylpiperidine-1-carbonyl)-3-cyclohexyl-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate

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

K289-0352

Molecular Formula

C25H32N4O5S (C25 H32 N4 O5 S)

Compound Name

ethyl 2-{[7-(4-carbamoylpiperidine-1-carbonyl)-3-cyclohexyl-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[7-(4-carbamoylpiperidine-1-carbonyl)-3-cyclohexyl-4-oxo-34-dihydroquinazolin-2-yl]sulfanyl}acetate

SMILES

CCOC(CSC(N1C2CCCCC2)=Nc(cc(cc2)C(N(CC3)CCC3C(N)=O)=O)c2C1=O)=O

InChI

InChI=1S/C25H32N4O5S/c1-2-34-21(30)15-35-25-27-20-14-17(23(32)28-12-10-16(11-13-28)22(26)31)8-9-19(20)24(33)29(25)18-6-4-3-5-7-18/h8-9,14,16,18H,2-7,10-13,15H2,1H3,(H2,26,31)

InChI Key

VWTUHCSHVGZQFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05023554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.975

Distribution Coefficient, logD

1.975

Water Solubility, LogSw

-2.75

Polar Surface Area

96.130

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

K289-0352 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K289-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0352?
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What is the minimum amount of K289-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0352
  • 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 K289-0352 available by request