K280-0587 Screening compound: 4-[2-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole

K280-0587 Screening compound: 4-[2-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole
K280-0587 Screening compound: 4-[2-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0587
4-[2-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole

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

K280-0587

Molecular Formula

C24H24N6OS (C24 H24 N6 OS)

Compound Name

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

IUPAC name

4-[2-(5-{[(3-methoxyphenyl)methyl]sulfanyl}-[124]triazolo[15-c]quinazolin-2-yl)ethyl]-35-dimethyl-1H-pyrazole

SMILES

Cc1c(CCc2nn3c(SCc4cc(OC)ccc4)nc(cccc4)c4c3n2)c(C)n[nH]1

InChI

InChI=1S/C24H24N6OS/c1-15-19(16(2)28-27-15)11-12-22-26-23-20-9-4-5-10-21(20)25-24(30(23)29-22)32-14-17-7-6-8-18(13-17)31-3/h4-10,13H,11-12,14H2,1-3H3,(H,27,28)

InChI Key

VKRXDOCREAQUGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.916

Distribution Coefficient, logD

4.035

Water Solubility, LogSw

-4.95

Polar Surface Area

62.246

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

8.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K280-0587 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K280-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0587?
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What is the minimum amount of K280-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0587
  • 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 K280-0587 available by request