K280-0017 Screening compound: 2-[(2-bromophenoxy)methyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione

K280-0017 Screening compound: 2-[(2-bromophenoxy)methyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione
K280-0017 Screening compound: 2-[(2-bromophenoxy)methyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound K280-0017
2-[(2-bromophenoxy)methyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione

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

K280-0017

Molecular Formula

C16H11BrN4OS (C16 H11 BrN4 OS)

Compound Name

2-[(2-bromophenoxy)methyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione

IUPAC name

2-[(2-bromophenoxy)methyl]-5H6H-[124]triazolo[15-c]quinazoline-5-thione

SMILES

S=C1n2nc(COc(cccc3)c3Br)nc2-c(cccc2)c2N1

InChI

InChI=1S/C16H11BrN4OS/c17-11-6-2-4-8-13(11)22-9-14-19-15-10-5-1-3-7-12(10)18-16(23)21(15)20-14/h1-8H,9H2,(H,18,23)

InChI Key

STOJKLIEUJFHPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.887

Distribution Coefficient, logD

3.881

Water Solubility, LogSw

-4.33

Polar Surface Area

43.723

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

K280-0017 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 K280-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K280-0017?
Check Price and Availability of K280-0017, 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 K280-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K280-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K280-0017
  • 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 K280-0017 available by request