K280-0051 Screening compound: 2-({2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

K280-0051 Screening compound: 2-({2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
K280-0051 Screening compound: 2-({2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0051
2-({2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

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

K280-0051

Molecular Formula

C29H27N7O3S2 (C29 H27 N7 O3 S2)

Compound Name

2-({2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

IUPAC name

2-({2-[2-(1H-indol-3-yl)ethyl]-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

SMILES

NS(c1ccc(CCNC(CSc2nc(cccc3)c3c3nc(CCc4c[nH]c5c4cccc5)nn23)=O)cc1)(=O)=O

InChI

InChI=1S/C29H27N7O3S2/c30-41(38,39)21-12-9-19(10-13-21)15-16-31-27(37)18-40-29-33-25-8-4-2-6-23(25)28-34-26(35-36(28)29)14-11-20-17-32-24-7-3-1-5-22(20)24/h1-10,12-13,17,32H,11,14-16,18H2,(H,31,37)(H2,30,38,39)

InChI Key

GYGHWCOBVUSEJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.71

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.266

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-3.49

Polar Surface Area

115.574

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.20

K280-0051 in Drug Discovery

Included in Screening Libraries

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

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 K280-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0051?
Check Price and Availability of K280-0051, 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 K280-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0051
  • 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 K280-0051 available by request