K280-0552 Screening compound: 4-[2-(5-{[(3-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole

K280-0552 Screening compound: 4-[2-(5-{[(3-fluorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole
K280-0552 Screening compound: 4-[2-(5-{[(3-fluorophenyl)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 K280-0552
4-[2-(5-{[(3-fluorophenyl)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

K280-0552

Molecular Formula

C23H21FN6S (C23 H21 FN6 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H21FN6S/c1-14-18(15(2)28-27-14)10-11-21-26-22-19-8-3-4-9-20(19)25-23(30(22)29-21)31-13-16-6-5-7-17(24)12-16/h3-9,12H,10-11,13H2,1-2H3,(H,27,28)

InChI Key

YFEAMNHZXQPKBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.983

Distribution Coefficient, logD

4.102

Water Solubility, LogSw

-4.98

Polar Surface Area

54.703

Acid Dissociation Constant (pKa)

14.20

Base Dissociation Constant (pKb)

8.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

K280-0552 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K280-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0552?
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What is the minimum amount of K280-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0552
  • 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 K280-0552 available by request