K297-0578 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(4-fluorophenyl)quinazolin-4-amine

K297-0578 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(4-fluorophenyl)quinazolin-4-amine
K297-0578 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(4-fluorophenyl)quinazolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-0578
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(4-fluorophenyl)quinazolin-4-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

K297-0578

Molecular Formula

C21H15ClFN3S (C21 H15 ClFN3 S)

Compound Name

2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(4-fluorophenyl)quinazolin-4-amine

IUPAC name

2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(4-fluorophenyl)quinazolin-4-amine

SMILES

Fc(cc1)ccc1Nc1nc(SCc2cccc(Cl)c2)nc2ccccc12

InChI

InChI=1S/C21H15ClFN3S/c22-15-5-3-4-14(12-15)13-27-21-25-19-7-2-1-6-18(19)20(26-21)24-17-10-8-16(23)9-11-17/h1-12H,13H2,(H,24,25,26)

InChI Key

YMFGURULCPGIBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.89

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.715

Distribution Coefficient, logD

6.715

Water Solubility, LogSw

-6.83

Polar Surface Area

26.527

Acid Dissociation Constant (pKa)

16.36

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

K297-0578 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K297-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-0578?
Check Price and Availability of K297-0578, 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 K297-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-0578
  • 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 K297-0578 available by request