K284-4161 Screening compound: 4-{[6-bromo-2-({[(2,5-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-methoxyethyl)benzamide

K284-4161 Screening compound: 4-{[6-bromo-2-({[(2,5-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-methoxyethyl)benzamide
K284-4161 Screening compound: 4-{[6-bromo-2-({[(2,5-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-methoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4161
4-{[6-bromo-2-({[(2,5-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-methoxyethyl)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

K284-4161

Molecular Formula

C29H29BrN4O6S (C29 H29 BrN4 O6 S)

Compound Name

4-{[6-bromo-2-({[(2,5-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]methyl}-N-(2-methoxyethyl)benzamide

IUPAC name

4-{[6-bromo-2-({[(25-dimethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-34-dihydroquinazolin-3-yl]methyl}-N-(2-methoxyethyl)benzamide

SMILES

COCCNC(c1ccc(CN2C(SCC(Nc(cc(cc3)OC)c3OC)=O)=Nc(ccc(Br)c3)c3C2=O)cc1)=O

InChI

InChI=1S/C29H29BrN4O6S/c1-38-13-12-31-27(36)19-6-4-18(5-7-19)16-34-28(37)22-14-20(30)8-10-23(22)33-29(34)41-17-26(35)32-24-15-21(39-2)9-11-25(24)40-3/h4-11,14-15H,12-13,16-17H2,1-3H3,(H,31,36)(H,32,35)

InChI Key

ZDYKFLNGLJQKRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

641.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.943

Distribution Coefficient, logD

3.943

Water Solubility, LogSw

-4.10

Polar Surface Area

96.266

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

K284-4161 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 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 K284-4161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4161?
Check Price and Availability of K284-4161, 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 K284-4161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4161
  • 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 K284-4161 available by request