K284-0705 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one

K284-0705 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one
K284-0705 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-0705
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one

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

K284-0705

Molecular Formula

C27H25FN2O5S (C27 H25 FN2 O5 S)

Compound Name

3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one

IUPAC name

3-[2-(34-dimethoxyphenyl)ethyl]-2-{[(6-fluoro-24-dihydro-13-benzodioxin-8-yl)methyl]sulfanyl}-34-dihydroquinazolin-4-one

SMILES

COc(ccc(CCN1C(SCc2c3OCOCc3cc(F)c2)=Nc(cccc2)c2C1=O)c1)c1OC

InChI

InChI=1S/C27H25FN2O5S/c1-32-23-8-7-17(11-24(23)33-2)9-10-30-26(31)21-5-3-4-6-22(21)29-27(30)36-15-19-13-20(28)12-18-14-34-16-35-25(18)19/h3-8,11-13H,9-10,14-16H2,1-2H3

InChI Key

PKLFDDXXSSVRAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05023998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.578

Distribution Coefficient, logD

4.578

Water Solubility, LogSw

-4.41

Polar Surface Area

57.899

Acid Dissociation Constant (pKa)

25.39

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

K284-0705 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with K284-0705 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-0705?
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What is the minimum amount of K284-0705 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-0705
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-0705
  • 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 K284-0705 available by request