K284-4795 Screening compound: N-[(furan-2-yl)methyl]-4-[(4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazolin-3-yl)methyl]cyclohexane-1-carboxamide

K284-4795 Screening compound: N-[(furan-2-yl)methyl]-4-[(4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazolin-3-yl)methyl]cyclohexane-1-carboxamide
K284-4795 Screening compound: N-[(furan-2-yl)methyl]-4-[(4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazolin-3-yl)methyl]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4795
N-[(furan-2-yl)methyl]-4-[(4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazolin-3-yl)methyl]cyclohexane-1-carboxamide

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

K284-4795

Molecular Formula

C33H37N5O4S (C33 H37 N5 O4 S)

Compound Name

N-[(furan-2-yl)methyl]-4-[(4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazolin-3-yl)methyl]cyclohexane-1-carboxamide

IUPAC name

N-[(furan-2-yl)methyl]-4-[(4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-34-dihydroquinazolin-3-yl)methyl]cyclohexane-1-carboxamide

SMILES

O=C(CSC(N1CC(CC2)CCC2C(NCc2ccco2)=O)=Nc(cccc2)c2C1=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C33H37N5O4S/c39-30(37-18-16-36(17-19-37)26-7-2-1-3-8-26)23-43-33-35-29-11-5-4-10-28(29)32(41)38(33)22-24-12-14-25(15-13-24)31(40)34-21-27-9-6-20-42-27/h1-11,20,24-25H,12-19,21-23H2,(H,34,40)

InChI Key

FVYWDTYOXDVFFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

599.75

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.569

Distribution Coefficient, logD

4.569

Water Solubility, LogSw

-4.48

Polar Surface Area

77.778

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.40

K284-4795 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K284-4795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4795?
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What is the minimum amount of K284-4795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4795
  • 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 K284-4795 available by request