K284-5891 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide

K284-5891 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide
K284-5891 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(6-{[(3-fluorophenyl)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 K284-5891
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(6-{[(3-fluorophenyl)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

K284-5891

Molecular Formula

C34H30FN3O6S (C34 H30 FN3 O6 S)

Compound Name

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

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-4-[(6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxo-2H7H8H-[13]dioxolo[45-g]quinazolin-7-yl)methyl]benzamide

SMILES

COc(ccc(CCNC(c1ccc(CN2C(SCc3cc(F)ccc3)=Nc(cc3OCOc3c3)c3C2=O)cc1)=O)c1)c1OC

InChI

InChI=1S/C34H30FN3O6S/c1-41-28-11-8-21(15-29(28)42-2)12-13-36-32(39)24-9-6-22(7-10-24)18-38-33(40)26-16-30-31(44-20-43-30)17-27(26)37-34(38)45-19-23-4-3-5-25(35)14-23/h3-11,14-17H,12-13,18-20H2,1-2H3,(H,36,39)

InChI Key

RMWZEOQBTHUNCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15089083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

627.69

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.405

Distribution Coefficient, logD

5.405

Water Solubility, LogSw

-5.38

Polar Surface Area

82.402

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.60

K284-5891 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K284-5891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5891?
Check Price and Availability of K284-5891, 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 K284-5891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5891
  • 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 K284-5891 available by request