K297-0857 Screening compound: 1-(4-chlorophenyl)-2-({4-[(3,4-difluorophenyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one

K297-0857 Screening compound: 1-(4-chlorophenyl)-2-({4-[(3,4-difluorophenyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one
K297-0857 Screening compound: 1-(4-chlorophenyl)-2-({4-[(3,4-difluorophenyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-0857
1-(4-chlorophenyl)-2-({4-[(3,4-difluorophenyl)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

K297-0857

Molecular Formula

C22H14ClF2N3OS (C22 H14 ClF2 N3 OS)

Compound Name

1-(4-chlorophenyl)-2-({4-[(3,4-difluorophenyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one

IUPAC name

1-(4-chlorophenyl)-2-({4-[(34-difluorophenyl)amino]quinazolin-2-yl}sulfanyl)ethan-1-one

SMILES

O=C(CSc1nc2ccccc2c(Nc(cc2)cc(F)c2F)n1)c(cc1)ccc1Cl

InChI

InChI=1S/C22H14ClF2N3OS/c23-14-7-5-13(6-8-14)20(29)12-30-22-27-19-4-2-1-3-16(19)21(28-22)26-15-9-10-17(24)18(25)11-15/h1-11H,12H2,(H,26,27,28)

InChI Key

LCSPNRJJXAPGNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.89

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

6.507

Distribution Coefficient, logD

6.507

Water Solubility, LogSw

-6.54

Polar Surface Area

39.774

Acid Dissociation Constant (pKa)

14.48

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

K297-0857 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 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 K297-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-0857?
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What is the minimum amount of K297-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-0857
  • 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 K297-0857 available by request