K284-5781 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide

K284-5781 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide
K284-5781 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5781
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide

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

K284-5781

Molecular Formula

C31H36N4O7S (C31 H36 N4 O7 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-6-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H7H8H-[13]dioxolo[45-g]quinazolin-7-yl)hexanamide

SMILES

O=C(CCCCCN1C(SCC(NC2CCCCC2)=O)=Nc(cc2OCOc2c2)c2C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C31H36N4O7S/c36-28(32-16-20-10-11-24-25(13-20)40-18-39-24)9-5-2-6-12-35-30(38)22-14-26-27(42-19-41-26)15-23(22)34-31(35)43-17-29(37)33-21-7-3-1-4-8-21/h10-11,13-15,21H,1-9,12,16-19H2,(H,32,36)(H,33,37)

InChI Key

BZTVMMOISDJTSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

608.72

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.442

Distribution Coefficient, logD

4.442

Water Solubility, LogSw

-4.24

Polar Surface Area

108.649

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.40

K284-5781 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K284-5781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5781?
Check Price and Availability of K284-5781, 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 K284-5781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5781
  • 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 K284-5781 available by request