C445-0016 Screening compound: 8,9-dimethoxy-2-[(4-methoxyphenoxy)methyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione

C445-0016 Screening compound: 8,9-dimethoxy-2-[(4-methoxyphenoxy)methyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione
C445-0016 Screening compound: 8,9-dimethoxy-2-[(4-methoxyphenoxy)methyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0016
8,9-dimethoxy-2-[(4-methoxyphenoxy)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

C445-0016

Molecular Formula

C19H18N4O4S (C19 H18 N4 O4 S)

Compound Name

8,9-dimethoxy-2-[(4-methoxyphenoxy)methyl]-5H,6H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione

IUPAC name

89-dimethoxy-2-[(4-methoxyphenoxy)methyl]-5H6H-[124]triazolo[15-c]quinazoline-5-thione

SMILES

COc(cc1)ccc1OCc(nc1-c(cc(c(OC)c2)OC)c2N2)nn1C2=S

InChI

InChI=1S/C19H18N4O4S/c1-24-11-4-6-12(7-5-11)27-10-17-21-18-13-8-15(25-2)16(26-3)9-14(13)20-19(28)23(18)22-17/h4-9H,10H2,1-3H3,(H,20,28)

InChI Key

BLDQOOUOTLORKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.955

Distribution Coefficient, logD

2.860

Water Solubility, LogSw

-3.51

Polar Surface Area

66.441

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C445-0016 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C445-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0016?
Check Price and Availability of C445-0016, 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 C445-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0016
  • 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 C445-0016 available by request