C347-0007 Screening compound: (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3,5-dimethoxybenzoate

C347-0007 Screening compound: (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3,5-dimethoxybenzoate
C347-0007 Screening compound: (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3,5-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C347-0007
(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3,5-dimethoxybenzoate

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

C347-0007

Molecular Formula

C17H15N3O5 (C17 H15 N3 O5)

Compound Name

(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3,5-dimethoxybenzoate

IUPAC name

(4-oxo-34-dihydro-123-benzotriazin-3-yl)methyl 35-dimethoxybenzoate

SMILES

COc1cc(C(OCN2N=Nc(cccc3)c3C2=O)=O)cc(OC)c1

InChI

InChI=1S/C17H15N3O5/c1-23-12-7-11(8-13(9-12)24-2)17(22)25-10-20-16(21)14-5-3-4-6-15(14)18-19-20/h3-9H,10H2,1-2H3

InChI Key

BECLKSJEVHRXEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.980

Distribution Coefficient, logD

2.980

Water Solubility, LogSw

-3.50

Polar Surface Area

77.625

Acid Dissociation Constant (pKa)

29.06

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C347-0007 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C347-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C347-0007?
Check Price and Availability of C347-0007, 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 C347-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C347-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C347-0007
  • 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 C347-0007 available by request