K297-0559 Screening compound: 1-(4-fluorophenyl)-2-({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one

K297-0559 Screening compound: 1-(4-fluorophenyl)-2-({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one
K297-0559 Screening compound: 1-(4-fluorophenyl)-2-({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-0559
1-(4-fluorophenyl)-2-({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one

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

K297-0559

Molecular Formula

C22H15F2N3OS (C22 H15 F2 N3 OS)

Compound Name

1-(4-fluorophenyl)-2-({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one

IUPAC name

1-(4-fluorophenyl)-2-({4-[(4-fluorophenyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one

SMILES

O=C(CSc1nc2ccccc2c(Nc(cc2)ccc2F)n1)c(cc1)ccc1F

InChI

InChI=1S/C22H15F2N3OS/c23-15-7-5-14(6-8-15)20(28)13-29-22-26-19-4-2-1-3-18(19)21(27-22)25-17-11-9-16(24)10-12-17/h1-12H,13H2,(H,25,26,27)

InChI Key

SAMPNVSLLWWGGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.614

Distribution Coefficient, logD

5.614

Water Solubility, LogSw

-6.12

Polar Surface Area

39.774

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

K297-0559 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with K297-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-0559?
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What is the minimum amount of K297-0559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-0559
  • 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 K297-0559 available by request