K284-5889 Screening compound: 4-[(6-{[(4-tert-butylphenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

K284-5889 Screening compound: 4-[(6-{[(4-tert-butylphenyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
K284-5889 Screening compound: 4-[(6-{[(4-tert-butylphenyl)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 K284-5889
4-[(6-{[(4-tert-butylphenyl)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

K284-5889

Molecular Formula

C38H39N3O6S (C38 H39 N3 O6 S)

Compound Name

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

SMILES

CC(C)(C)c1ccc(CSC(N2Cc(cc3)ccc3C(NCCc(cc3)cc(OC)c3OC)=O)=Nc(cc3OCOc3c3)c3C2=O)cc1

InChI

InChI=1S/C38H39N3O6S/c1-38(2,3)28-13-8-26(9-14-28)22-48-37-40-30-20-34-33(46-23-47-34)19-29(30)36(43)41(37)21-25-6-11-27(12-7-25)35(42)39-17-16-24-10-15-31(44-4)32(18-24)45-5/h6-15,18-20H,16-17,21-23H2,1-5H3,(H,39,42)

InChI Key

CCVSXLQLARCXOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15089082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

665.81

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.800

Distribution Coefficient, logD

6.800

Water Solubility, LogSw

-5.57

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

28.90

K284-5889 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K284-5889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5889?
Check Price and Availability of K284-5889, 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 K284-5889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5889
  • 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 K284-5889 available by request