K284-5761 Screening compound: ethyl 2-{[7-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate

K284-5761 Screening compound: ethyl 2-{[7-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate
K284-5761 Screening compound: ethyl 2-{[7-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5761
ethyl 2-{[7-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pentyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl}acetate

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

K284-5761

Molecular Formula

C27H29N3O8S (C27 H29 N3 O8 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CSC(N1CCCCCC(NCc(cc2)cc3c2OCO3)=O)=Nc(cc2OCOc2c2)c2C1=O)=O

InChI

InChI=1S/C27H29N3O8S/c1-2-34-25(32)14-39-27-29-19-12-23-22(37-16-38-23)11-18(19)26(33)30(27)9-5-3-4-6-24(31)28-13-17-7-8-20-21(10-17)36-15-35-20/h7-8,10-12H,2-6,9,13-16H2,1H3,(H,28,31)

InChI Key

XLWMGOWTLNETOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.757

Distribution Coefficient, logD

3.757

Water Solubility, LogSw

-3.84

Polar Surface Area

104.882

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

K284-5761 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

MCL1 Targeted Library (12200 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
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with K284-5761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5761?
Check Price and Availability of K284-5761, 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 K284-5761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5761
  • 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 K284-5761 available by request