K284-5262 Screening compound: 4-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[(pyridin-2-yl)methyl]butanamide

K284-5262 Screening compound: 4-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[(pyridin-2-yl)methyl]butanamide
K284-5262 Screening compound: 4-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[(pyridin-2-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5262
4-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-[(pyridin-2-yl)methyl]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

K284-5262

Molecular Formula

C19H18N4O4S (C19 H18 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCCN(C(c(cc1OCOc1c1)c1N1)=O)C1=S)NCc1ncccc1

InChI

InChI=1S/C19H18N4O4S/c24-17(21-10-12-4-1-2-6-20-12)5-3-7-23-18(25)13-8-15-16(27-11-26-15)9-14(13)22-19(23)28/h1-2,4,6,8-9H,3,5,7,10-11H2,(H,21,24)(H,22,28)

InChI Key

MEHIIZNLCZVFCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.332

Distribution Coefficient, logD

1.310

Water Solubility, LogSw

-2.45

Polar Surface Area

78.426

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

K284-5262 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K284-5262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5262?
Check Price and Availability of K284-5262, 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 K284-5262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5262
  • 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 K284-5262 available by request