K280-0554 Screening compound: 1-(4-bromophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one

K280-0554 Screening compound: 1-(4-bromophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
K280-0554 Screening compound: 1-(4-bromophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0554
1-(4-bromophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one

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

K280-0554

Molecular Formula

C24H21BrN6OS (C24 H21 BrN6 OS)

Compound Name

1-(4-bromophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one

IUPAC name

1-(4-bromophenyl)-2-({2-[2-(35-dimethyl-1H-pyrazol-4-yl)ethyl]-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)ethan-1-one

SMILES

Cc1c(CCc2nn3c(SCC(c(cc4)ccc4Br)=O)nc(cccc4)c4c3n2)c(C)n[nH]1

InChI

InChI=1S/C24H21BrN6OS/c1-14-18(15(2)29-28-14)11-12-22-27-23-19-5-3-4-6-20(19)26-24(31(23)30-22)33-13-21(32)16-7-9-17(25)10-8-16/h3-10H,11-13H2,1-2H3,(H,28,29)

InChI Key

RQLNIQIUMMTCFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.220

Distribution Coefficient, logD

4.647

Water Solubility, LogSw

-5.27

Polar Surface Area

67.950

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

K280-0554 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with K280-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0554?
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What is the minimum amount of K280-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0554
  • 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 K280-0554 available by request