K284-5796 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]hexanamide

K284-5796 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]hexanamide
K284-5796 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-({[(3-methoxyphenyl)carbamoyl]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 K284-5796
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-({[(3-methoxyphenyl)carbamoyl]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

K284-5796

Molecular Formula

C32H32N4O8S (C32 H32 N4 O8 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-({[(3-methoxyphenyl)carbamoyl]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-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H7H8H-[13]dioxolo[45-g]quinazolin-7-yl]hexanamide

SMILES

COc1cccc(NC(CSC(N2CCCCCC(NCc(cc3)cc4c3OCO4)=O)=Nc(cc3OCOc3c3)c3C2=O)=O)c1

InChI

InChI=1S/C32H32N4O8S/c1-40-22-7-5-6-21(13-22)34-30(38)17-45-32-35-24-15-28-27(43-19-44-28)14-23(24)31(39)36(32)11-4-2-3-8-29(37)33-16-20-9-10-25-26(12-20)42-18-41-25/h5-7,9-10,12-15H,2-4,8,11,16-19H2,1H3,(H,33,37)(H,34,38)

InChI Key

QFDVNEZIURTQBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15089000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

632.69

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.612

Distribution Coefficient, logD

4.612

Water Solubility, LogSw

-4.20

Polar Surface Area

115.145

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

K284-5796 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system

References: we are preparing a list of scientific research reports with K284-5796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5796?
Check Price and Availability of K284-5796, 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 K284-5796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5796
  • 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 K284-5796 available by request