K284-5887 Screening compound: 4-[(6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

K284-5887 Screening compound: 4-[(6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
K284-5887 Screening compound: 4-[(6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5887
4-[(6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]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

K284-5887

Molecular Formula

C35H30ClN3O7S (C35 H30 ClN3 O7 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CCNC(c1ccc(CN2C(SCC(c(cc3)ccc3Cl)=O)=Nc(cc3OCOc3c3)c3C2=O)cc1)=O)c1)c1OC

InChI

InChI=1S/C35H30ClN3O7S/c1-43-29-12-5-21(15-30(29)44-2)13-14-37-33(41)24-6-3-22(4-7-24)18-39-34(42)26-16-31-32(46-20-45-31)17-27(26)38-35(39)47-19-28(40)23-8-10-25(36)11-9-23/h3-12,15-17H,13-14,18-20H2,1-2H3,(H,37,41)

InChI Key

WJNWBWFEFGIKTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15089080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

672.16

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.403

Distribution Coefficient, logD

5.403

Water Solubility, LogSw

-5.85

Polar Surface Area

95.649

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K284-5887 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K284-5887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5887?
Check Price and Availability of K284-5887, 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 K284-5887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5887
  • 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 K284-5887 available by request