K284-5531 Screening compound: 3-(6-{[(benzylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

K284-5531 Screening compound: 3-(6-{[(benzylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
K284-5531 Screening compound: 3-(6-{[(benzylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-5531
3-(6-{[(benzylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

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

K284-5531

Molecular Formula

C31H32N4O7S (C31 H32 N4 O7 S)

Compound Name

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

IUPAC name

3-(6-{[(benzylcarbamoyl)methyl]sulfanyl}-8-oxo-2H7H8H-[13]dioxolo[45-g]quinazolin-7-yl)-N-[2-(34-dimethoxyphenyl)ethyl]propanamide

SMILES

COc(ccc(CCNC(CCN1C(SCC(NCc2ccccc2)=O)=Nc(cc2OCOc2c2)c2C1=O)=O)c1)c1OC

InChI

InChI=1S/C31H32N4O7S/c1-39-24-9-8-20(14-25(24)40-2)10-12-32-28(36)11-13-35-30(38)22-15-26-27(42-19-41-26)16-23(22)34-31(35)43-18-29(37)33-17-21-6-4-3-5-7-21/h3-9,14-16H,10-13,17-19H2,1-2H3,(H,32,36)(H,33,37)

InChI Key

IKXDGKVFELGONO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

604.68

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.849

Distribution Coefficient, logD

2.849

Water Solubility, LogSw

-3.53

Polar Surface Area

106.910

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

K284-5531 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 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:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K284-5531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-5531?
Check Price and Availability of K284-5531, 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 K284-5531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-5531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-5531
  • 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 K284-5531 available by request