K297-0136 Screening compound: 2-[(4-{[(4-chlorophenyl)methyl]amino}quinazolin-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one

K297-0136 Screening compound: 2-[(4-{[(4-chlorophenyl)methyl]amino}quinazolin-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
K297-0136 Screening compound: 2-[(4-{[(4-chlorophenyl)methyl]amino}quinazolin-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-0136
2-[(4-{[(4-chlorophenyl)methyl]amino}quinazolin-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)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

K297-0136

Molecular Formula

C27H26ClN5OS (C27 H26 ClN5 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nc2ccccc2c(NCc(cc2)ccc2Cl)n1)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C27H26ClN5OS/c28-21-12-10-20(11-13-21)18-29-26-23-8-4-5-9-24(23)30-27(31-26)35-19-25(34)33-16-14-32(15-17-33)22-6-2-1-3-7-22/h1-13H,14-19H2,(H,29,30,31)

InChI Key

AJZFSSIXWCPJRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.06

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.491

Distribution Coefficient, logD

5.487

Water Solubility, LogSw

-6.09

Polar Surface Area

47.502

Acid Dissociation Constant (pKa)

16.06

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

K297-0136 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K297-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-0136?
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What is the minimum amount of K297-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-0136
  • 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 K297-0136 available by request