K284-5376 Screening compound: N-(2,2-dimethoxyethyl)-4-({8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide

K284-5376 Screening compound: N-(2,2-dimethoxyethyl)-4-({8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide
K284-5376 Screening compound: N-(2,2-dimethoxyethyl)-4-({8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5376
N-(2,2-dimethoxyethyl)-4-({8-oxo-6-sulfanylidene-2H,5H,6H,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

K284-5376

Molecular Formula

C21H21N3O6S (C21 H21 N3 O6 S)

Compound Name

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

IUPAC name

N-(22-dimethoxyethyl)-4-({8-oxo-6-sulfanylidene-2H5H6H7H8H-[13]dioxolo[45-g]quinazolin-7-yl}methyl)benzamide

SMILES

COC(CNC(c1ccc(CN(C(c(cc2OCOc2c2)c2N2)=O)C2=S)cc1)=O)OC

InChI

InChI=1S/C21H21N3O6S/c1-27-18(28-2)9-22-19(25)13-5-3-12(4-6-13)10-24-20(26)14-7-16-17(30-11-29-16)8-15(14)23-21(24)31/h3-8,18H,9-11H2,1-2H3,(H,22,25)(H,23,31)

InChI Key

ZSZMKSRXWIBNMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08541334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.898

Distribution Coefficient, logD

1.891

Water Solubility, LogSw

-2.98

Polar Surface Area

84.613

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K284-5376 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with K284-5376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5376?
Check Price and Availability of K284-5376, 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 K284-5376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5376
  • 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 K284-5376 available by request