C445-0007 Screening compound: 2-[(2-bromophenoxy)methyl]-8,9-dimethoxy-5H,6H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione

C445-0007 Screening compound: 2-[(2-bromophenoxy)methyl]-8,9-dimethoxy-5H,6H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione
C445-0007 Screening compound: 2-[(2-bromophenoxy)methyl]-8,9-dimethoxy-5H,6H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0007
2-[(2-bromophenoxy)methyl]-8,9-dimethoxy-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

C445-0007

Molecular Formula

C18H15BrN4O3S (C18 H15 BrN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(c(OC)c1)cc(-c2nc(COc(cccc3)c3Br)nn22)c1NC2=S

InChI

InChI=1S/C18H15BrN4O3S/c1-24-14-7-10-12(8-15(14)25-2)20-18(27)23-17(10)21-16(22-23)9-26-13-6-4-3-5-11(13)19/h3-8H,9H2,1-2H3,(H,20,27)

InChI Key

SYRSWGKLEFOOKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.562

Distribution Coefficient, logD

3.467

Water Solubility, LogSw

-3.92

Polar Surface Area

58.983

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C445-0007 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antibacterial Compounds Library (13827 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
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C445-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0007?
Check Price and Availability of C445-0007, 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 C445-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0007
  • 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 C445-0007 available by request