K284-5865 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-({[(3-methylbutyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl}benzamide

K284-5865 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-({[(3-methylbutyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl}benzamide
K284-5865 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-({[(3-methylbutyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5865
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{[6-({[(3-methylbutyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl}benzamide

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

K284-5865

Molecular Formula

C32H32N4O7S (C32 H32 N4 O7 S)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-{[6-({[(3-methylbutyl)carbamoyl]methyl}sulfanyl)-8-oxo-2H7H8H-[13]dioxolo[45-g]quinazolin-7-yl]methyl}benzamide

SMILES

CC(C)CCNC(CSC(N1Cc(cc2)ccc2C(NCc(cc2)cc3c2OCO3)=O)=Nc(cc2OCOc2c2)c2C1=O)=O

InChI

InChI=1S/C32H32N4O7S/c1-19(2)9-10-33-29(37)16-44-32-35-24-13-28-27(42-18-43-28)12-23(24)31(39)36(32)15-20-3-6-22(7-4-20)30(38)34-14-21-5-8-25-26(11-21)41-17-40-25/h3-8,11-13,19H,9-10,14-18H2,1-2H3,(H,33,37)(H,34,38)

InChI Key

PNPJNCNBFKCCEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15089059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

616.69

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.692

Distribution Coefficient, logD

4.692

Water Solubility, LogSw

-4.33

Polar Surface Area

109.000

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

K284-5865 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 K284-5865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5865?
Check Price and Availability of K284-5865, 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 K284-5865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5865
  • 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 K284-5865 available by request