K284-5902 Screening compound: 4-[(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

K284-5902 Screening compound: 4-[(6-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
K284-5902 Screening compound: 4-[(6-{[(cyclohexylcarbamoyl)methyl]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 K284-5902
4-[(6-{[(cyclohexylcarbamoyl)methyl]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

K284-5902

Molecular Formula

C35H38N4O7S (C35 H38 N4 O7 S)

Compound Name

4-[(6-{[(cyclohexylcarbamoyl)methyl]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-{[(cyclohexylcarbamoyl)methyl]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(NC3CCCCC3)=O)=Nc(cc3OCOc3c3)c3C2=O)cc1)=O)c1)c1OC

InChI

InChI=1S/C35H38N4O7S/c1-43-28-13-10-22(16-29(28)44-2)14-15-36-33(41)24-11-8-23(9-12-24)19-39-34(42)26-17-30-31(46-21-45-30)18-27(26)38-35(39)47-20-32(40)37-25-6-4-3-5-7-25/h8-13,16-18,25H,3-7,14-15,19-21H2,1-2H3,(H,36,41)(H,37,40)

InChI Key

LADCKYMRCVONAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15089094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

658.78

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.577

Distribution Coefficient, logD

4.577

Water Solubility, LogSw

-4.34

Polar Surface Area

106.599

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.10

K284-5902 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K284-5902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5902?
Check Price and Availability of K284-5902, 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 K284-5902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5902
  • 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 K284-5902 available by request