K284-6226 Screening compound: 3-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydro-4(1H)-quinazolinone

K284-6226 Screening compound: 3-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydro-4(1H)-quinazolinone
K284-6226 Screening compound: 3-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydro-4(1H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-6226
3-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydro-4(1H)-quinazolinone

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

K284-6226

Molecular Formula

C20H19N3O4S (C20 H19 N3 O4 S)

Compound Name

3-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-2-thioxo-2,3-dihydro-4(1H)-quinazolinone

IUPAC name

3-[(2H-13-benzodioxol-5-yl)methyl]-6-(morpholin-4-yl)-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

O=C(c(cc(cc1)N2CCOCC2)c1N1)N(Cc(cc2)cc3c2OCO3)C1=S

InChI

InChI=1S/C20H19N3O4S/c24-19-15-10-14(22-5-7-25-8-6-22)2-3-16(15)21-20(28)23(19)11-13-1-4-17-18(9-13)27-12-26-17/h1-4,9-10H,5-8,11-12H2,(H,21,28)

InChI Key

FDTKKSYZVOHJMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05030159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.922

Distribution Coefficient, logD

2.922

Water Solubility, LogSw

-3.45

Polar Surface Area

55.794

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

K284-6226 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K284-6226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-6226?
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What is the minimum amount of K284-6226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-6226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-6226
  • 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 K284-6226 available by request