K280-0037 Screening compound: 3-[2-(5-{[(2-chlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-1H-indole

K280-0037 Screening compound: 3-[2-(5-{[(2-chlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethyl]-1H-indole
K280-0037 Screening compound: 3-[2-(5-{[(2-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 K280-0037
3-[2-(5-{[(2-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

K280-0037

Molecular Formula

C26H20ClN5S (C26 H20 ClN5 S)

Compound Name

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

IUPAC name

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

SMILES

Clc1c(CSc2nc(cccc3)c3c3nc(CCc4c[nH]c5c4cccc5)nn23)cccc1

InChI

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

InChI Key

HGOPJLVGAZKBPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15087260

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

6.710

Distribution Coefficient, logD

6.676

Water Solubility, LogSw

-6.65

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

K280-0037 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K280-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0037?
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What is the minimum amount of K280-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0037
  • 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 K280-0037 available by request