K297-0122 Screening compound: 1-(3-{[(4-{[(4-chlorophenyl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one

K297-0122 Screening compound: 1-(3-{[(4-{[(4-chlorophenyl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one
K297-0122 Screening compound: 1-(3-{[(4-{[(4-chlorophenyl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-0122
1-(3-{[(4-{[(4-chlorophenyl)methyl]amino}quinazolin-2-yl)sulfanyl]methyl}-4-methoxyphenyl)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

K297-0122

Molecular Formula

C25H22ClN3O2S (C25 H22 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(c(cc1)cc(CSc2nc3ccccc3c(NCc(cc3)ccc3Cl)n2)c1OC)=O

InChI

InChI=1S/C25H22ClN3O2S/c1-16(30)18-9-12-23(31-2)19(13-18)15-32-25-28-22-6-4-3-5-21(22)24(29-25)27-14-17-7-10-20(26)11-8-17/h3-13H,14-15H2,1-2H3,(H,27,28,29)

InChI Key

XHWLTMJDGAEFRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.876

Distribution Coefficient, logD

5.874

Water Solubility, LogSw

-6.14

Polar Surface Area

49.306

Acid Dissociation Constant (pKa)

16.06

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

K297-0122 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K297-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-0122?
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What is the minimum amount of K297-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-0122
  • 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 K297-0122 available by request