K280-0544 Screening compound: 1-[2-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-2-methyl-1H-1,3-benzodiazole

K280-0544 Screening compound: 1-[2-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-2-methyl-1H-1,3-benzodiazole
K280-0544 Screening compound: 1-[2-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-2-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0544
1-[2-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-2-methyl-1H-1,3-benzodiazole

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

K280-0544

Molecular Formula

C27H24N6OS (C27 H24 N6 OS)

Compound Name

1-[2-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-2-methyl-1H-1,3-benzodiazole

IUPAC name

1-[2-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-[124]triazolo[15-c]quinazolin-2-yl)ethyl]-2-methyl-1H-13-benzodiazole

SMILES

Cc1nc(cccc2)c2n1CCc1nn2c(SCc3cc(OC)ccc3)nc(cccc3)c3c2n1

InChI

InChI=1S/C27H24N6OS/c1-18-28-23-12-5-6-13-24(23)32(18)15-14-25-30-26-21-10-3-4-11-22(21)29-27(33(26)31-25)35-17-19-8-7-9-20(16-19)34-2/h3-13,16H,14-15,17H2,1-2H3

InChI Key

CUDNDLOSFNIVSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.483

Distribution Coefficient, logD

5.360

Water Solubility, LogSw

-5.80

Polar Surface Area

49.287

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

6.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

K280-0544 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with K280-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0544?
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What is the minimum amount of K280-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0544
  • 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 K280-0544 available by request