K280-0410 Screening compound: 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide

K280-0410 Screening compound: 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide
K280-0410 Screening compound: 2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0410
2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]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

K280-0410

Molecular Formula

C30H29N7OS (C30 H29 N7 OS)

Compound Name

2-({2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide

IUPAC name

2-({2-[2-(2-methyl-1H-13-benzodiazol-1-yl)ethyl]-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide

SMILES

CC(C)c(cc1)ccc1NC(CSc1nc(cccc2)c2c2nc(CCn3c(cccc4)c4nc3C)nn12)=O

InChI

InChI=1S/C30H29N7OS/c1-19(2)21-12-14-22(15-13-21)32-28(38)18-39-30-33-24-9-5-4-8-23(24)29-34-27(35-37(29)30)16-17-36-20(3)31-25-10-6-7-11-26(25)36/h4-15,19H,16-18H2,1-3H3,(H,32,38)

InChI Key

UWPJQCLCUVYKLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.164

Distribution Coefficient, logD

6.049

Water Solubility, LogSw

-5.71

Polar Surface Area

64.892

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

K280-0410 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with K280-0410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0410?
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What is the minimum amount of K280-0410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0410
  • 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 K280-0410 available by request