F058-0444 Screening compound: ethyl 3-(1-ethyl-1H-1,2,3-benzotriazole-5-amido)benzoate

F058-0444 Screening compound: ethyl 3-(1-ethyl-1H-1,2,3-benzotriazole-5-amido)benzoate
F058-0444 Screening compound: ethyl 3-(1-ethyl-1H-1,2,3-benzotriazole-5-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F058-0444
ethyl 3-(1-ethyl-1H-1,2,3-benzotriazole-5-amido)benzoate

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

F058-0444

Molecular Formula

C18H18N4O3 (C18 H18 N4 O3)

Compound Name

ethyl 3-(1-ethyl-1H-1,2,3-benzotriazole-5-amido)benzoate

IUPAC name

ethyl 3-(1-ethyl-1H-123-benzotriazole-5-amido)benzoate

SMILES

CCn1nnc2c1ccc(C(Nc1cccc(C(OCC)=O)c1)=O)c2

InChI

InChI=1S/C18H18N4O3/c1-3-22-16-9-8-12(11-15(16)20-21-22)17(23)19-14-7-5-6-13(10-14)18(24)25-4-2/h5-11H,3-4H2,1-2H3,(H,19,23)

InChI Key

GBOMOXGIFSUTBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD17713301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.118

Distribution Coefficient, logD

3.118

Water Solubility, LogSw

-3.28

Polar Surface Area

69.506

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

F058-0444 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with F058-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F058-0444?
Check Price and Availability of F058-0444, 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 F058-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F058-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F058-0444
  • 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 F058-0444 available by request