Y080-1190 Screening compound: 2-(methoxymethyl)-1-methyl-1H-1,3-benzodiazole-5-carboxylic acid

Y080-1190 Screening compound: 2-(methoxymethyl)-1-methyl-1H-1,3-benzodiazole-5-carboxylic acid
Y080-1190 Screening compound: 2-(methoxymethyl)-1-methyl-1H-1,3-benzodiazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1190
2-(methoxymethyl)-1-methyl-1H-1,3-benzodiazole-5-carboxylic acid

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

Y080-1190

Molecular Formula

C11H12N2O3 (C11 H12 N2 O3)

Compound Name

2-(methoxymethyl)-1-methyl-1H-1,3-benzodiazole-5-carboxylic acid

IUPAC name

2-(methoxymethyl)-1-methyl-1H-13-benzodiazole-5-carboxylic acid

SMILES

Cn1c(ccc(C(O)=O)c2)c2nc1COC

InChI

InChI=1S/C11H12N2O3/c1-13-9-4-3-7(11(14)15)5-8(9)12-10(13)6-16-2/h3-5H,6H2,1-2H3,(H,14,15)

InChI Key

CCAOKPGGGDYOHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19601490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.438

Distribution Coefficient, logD

-0.760

Water Solubility, LogSw

-1.76

Polar Surface Area

49.057

Acid Dissociation Constant (pKa)

5.48

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

Y080-1190 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Lipid Metabolism Library (9174 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with Y080-1190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1190?
Check Price and Availability of Y080-1190, 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 Y080-1190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1190
  • 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 Y080-1190 available by request