K280-0039 Screening compound: 3-[2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-1H-indole

K280-0039 Screening compound: 3-[2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-1H-indole
K280-0039 Screening compound: 3-[2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0039
3-[2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-1H-indole

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

K280-0039

Molecular Formula

C26H20ClN5S (C26 H20 ClN5 S)

Compound Name

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

IUPAC name

3-[2-(5-{[(4-chlorophenyl)methyl]sulfanyl}-[124]triazolo[15-c]quinazolin-2-yl)ethyl]-1H-indole

SMILES

Clc1ccc(CSc2nc(cccc3)c3c3nc(CCc4c[nH]c5c4cccc5)nn23)cc1

InChI

InChI=1S/C26H20ClN5S/c27-19-12-9-17(10-13-19)16-33-26-29-23-8-4-2-6-21(23)25-30-24(31-32(25)26)14-11-18-15-28-22-7-3-1-5-20(18)22/h1-10,12-13,15,28H,11,14,16H2

InChI Key

JNVHBZIXFJSMCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.368

Distribution Coefficient, logD

6.334

Water Solubility, LogSw

-6.63

Polar Surface Area

40.658

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

K280-0039 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K280-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0039?
Check Price and Availability of K280-0039, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K280-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0039
  • 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 K280-0039 available by request