K284-5646 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide

K284-5646 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide
K284-5646 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5646
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide

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

K284-5646

Molecular Formula

C29H32N4O7S (C29 H32 N4 O7 S)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H7H8H-[13]dioxolo[45-g]quinazolin-7-yl)butanamide

SMILES

O=C(CCCN1C(SCC(NC2CCCCC2)=O)=Nc(cc2OCOc2c2)c2C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C29H32N4O7S/c34-26(30-14-18-8-9-22-23(11-18)38-16-37-22)7-4-10-33-28(36)20-12-24-25(40-17-39-24)13-21(20)32-29(33)41-15-27(35)31-19-5-2-1-3-6-19/h8-9,11-13,19H,1-7,10,14-17H2,(H,30,34)(H,31,35)

InChI Key

DYCWEGGQAPOYDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.66

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.431

Distribution Coefficient, logD

3.431

Water Solubility, LogSw

-3.88

Polar Surface Area

108.649

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.80

K284-5646 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K284-5646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5646?
Check Price and Availability of K284-5646, 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 K284-5646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5646
  • 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 K284-5646 available by request