8018-4186 Screening compound: 2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline-5-thiol

8018-4186 Screening compound: 2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline-5-thiol
8018-4186 Screening compound: 2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline-5-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4186
2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline-5-thiol

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

8018-4186

Molecular Formula

C18H16N4O3S (C18 H16 N4 O3 S)

Compound Name

2-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline-5-thiol

IUPAC name

2-(345-trimethoxyphenyl)-[124]triazolo[15-c]quinazoline-5-thiol

SMILES

COc1cc(-c2nn3c(S)nc(cccc4)c4c3n2)cc(OC)c1OC

InChI

InChI=1S/C18H16N4O3S/c1-23-13-8-10(9-14(24-2)15(13)25-3)16-20-17-11-6-4-5-7-12(11)19-18(26)22(17)21-16/h4-9H,1-3H3,(H,19,26)

InChI Key

VNGUTEYMPRPRRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07181346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.146

Distribution Coefficient, logD

1.729

Water Solubility, LogSw

-3.19

Polar Surface Area

51.520

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

8.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8018-4186 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-4186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4186?
Check Price and Availability of 8018-4186, 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 8018-4186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4186
  • 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 8018-4186 available by request