K297-0446 Screening compound: 2-{[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

K297-0446 Screening compound: 2-{[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
K297-0446 Screening compound: 2-{[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K297-0446
2-{[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

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

K297-0446

Molecular Formula

C24H28N4OS (C24 H28 N4 OS)

Compound Name

2-{[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

IUPAC name

2-{[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide

SMILES

Cc1ccc(CNC(CSc2nc3ccccc3c(NC3CCCCC3)n2)=O)cc1

InChI

InChI=1S/C24H28N4OS/c1-17-11-13-18(14-12-17)15-25-22(29)16-30-24-27-21-10-6-5-9-20(21)23(28-24)26-19-7-3-2-4-8-19/h5-6,9-14,19H,2-4,7-8,15-16H2,1H3,(H,25,29)(H,26,27,28)

InChI Key

ORXPLOYSTKSANX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.606

Distribution Coefficient, logD

5.606

Water Solubility, LogSw

-5.51

Polar Surface Area

52.046

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

K297-0446 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K297-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K297-0446?
Check Price and Availability of K297-0446, 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 K297-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K297-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K297-0446
  • 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 K297-0446 available by request