0133-0058 Screening compound: ethyl 1-ethyl-2-methyl-1H-1,3-benzodiazole-5-carboxylate

0133-0058 Screening compound: ethyl 1-ethyl-2-methyl-1H-1,3-benzodiazole-5-carboxylate
0133-0058 Screening compound: ethyl 1-ethyl-2-methyl-1H-1,3-benzodiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0133-0058
ethyl 1-ethyl-2-methyl-1H-1,3-benzodiazole-5-carboxylate

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

0133-0058

Molecular Formula

C13H16N2O2 (C13 H16 N2 O2)

Compound Name

ethyl 1-ethyl-2-methyl-1H-1,3-benzodiazole-5-carboxylate

IUPAC name

ethyl 1-ethyl-2-methyl-1H-13-benzodiazole-5-carboxylate

SMILES

CCn1c(ccc(C(OCC)=O)c2)c2nc1C

InChI

InChI=1S/C13H16N2O2/c1-4-15-9(3)14-11-8-10(6-7-12(11)15)13(16)17-5-2/h6-8H,4-5H2,1-3H3

InChI Key

WFXZBJGTELYJQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00447373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.928

Distribution Coefficient, logD

2.897

Water Solubility, LogSw

-3.01

Polar Surface Area

31.694

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

0133-0058 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with 0133-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0133-0058?
Check Price and Availability of 0133-0058, 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 0133-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0133-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0133-0058
  • 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 0133-0058 available by request