K284-5627 Screening compound: ethyl 2-{[7-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}propyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}hexanoate

K284-5627 Screening compound: ethyl 2-{[7-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}propyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}hexanoate
K284-5627 Screening compound: ethyl 2-{[7-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}propyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5627
ethyl 2-{[7-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}propyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}hexanoate

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

K284-5627

Molecular Formula

C29H33N3O8S (C29 H33 N3 O8 S)

Compound Name

ethyl 2-{[7-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}propyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}hexanoate

IUPAC name

ethyl 2-{[7-(3-{[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}propyl)-8-oxo-2H7H8H-[13]dioxolo[45-g]quinazolin-6-yl]sulfanyl}hexanoate

SMILES

CCCCC(C(OCC)=O)SC(N1CCCC(NCc(cc2)cc3c2OCO3)=O)=Nc(cc2OCOc2c2)c2C1=O

InChI

InChI=1S/C29H33N3O8S/c1-3-5-7-25(28(35)36-4-2)41-29-31-20-14-24-23(39-17-40-24)13-19(20)27(34)32(29)11-6-8-26(33)30-15-18-9-10-21-22(12-18)38-16-37-21/h9-10,12-14,25H,3-8,11,15-17H2,1-2H3,(H,30,33)/t25-/m0/s1

InChI Key

UUYIYISVMOYKLC-VWLOTQADSA-N

MDL Number (MFCD)

MFCD15088848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.66

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.853

Distribution Coefficient, logD

4.853

Water Solubility, LogSw

-4.53

Polar Surface Area

105.477

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.80

K284-5627 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 K284-5627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5627?
Check Price and Availability of K284-5627, 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 K284-5627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5627
  • 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 K284-5627 available by request