K284-4782 Screening compound: N-[(furan-2-yl)methyl]-4-({4-oxo-2-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}methyl)cyclohexane-1-carboxamide

K284-4782 Screening compound: N-[(furan-2-yl)methyl]-4-({4-oxo-2-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}methyl)cyclohexane-1-carboxamide
K284-4782 Screening compound: N-[(furan-2-yl)methyl]-4-({4-oxo-2-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}methyl)cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4782
N-[(furan-2-yl)methyl]-4-({4-oxo-2-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)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

K284-4782

Molecular Formula

C30H29F3N4O4S (C30 H29 F3 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSC(N1CC(CC2)CCC2C(NCc2ccco2)=O)=Nc(cccc2)c2C1=O)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C30H29F3N4O4S/c31-30(32,33)23-8-2-4-10-25(23)35-26(38)18-42-29-36-24-9-3-1-7-22(24)28(40)37(29)17-19-11-13-20(14-12-19)27(39)34-16-21-6-5-15-41-21/h1-10,15,19-20H,11-14,16-18H2,(H,34,39)(H,35,38)

InChI Key

XDIRWUNXHIJUNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

598.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.187

Distribution Coefficient, logD

5.187

Water Solubility, LogSw

-5.28

Polar Surface Area

80.577

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K284-4782 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K284-4782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4782?
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What is the minimum amount of K284-4782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4782
  • 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 K284-4782 available by request