R153-0179 Screening compound: 2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-1,3-benzodiazole-5-carboxylic acid

R153-0179 Screening compound: 2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-1,3-benzodiazole-5-carboxylic acid
R153-0179 Screening compound: 2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-1,3-benzodiazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R153-0179
2-methyl-1-(3,4,5-trimethoxyphenyl)-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

R153-0179

Molecular Formula

C18H18N2O5 (C18 H18 N2 O5)

Compound Name

2-methyl-1-(3,4,5-trimethoxyphenyl)-1H-1,3-benzodiazole-5-carboxylic acid

IUPAC name

2-methyl-1-(345-trimethoxyphenyl)-1H-13-benzodiazole-5-carboxylic acid

SMILES

Cc1nc(cc(cc2)C(O)=O)c2n1-c(cc1OC)cc(OC)c1OC

InChI

InChI=1S/C18H18N2O5/c1-10-19-13-7-11(18(21)22)5-6-14(13)20(10)12-8-15(23-2)17(25-4)16(9-12)24-3/h5-9H,1-4H3,(H,21,22)

InChI Key

RBZOCMDZFLQPML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03021461

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.35

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

2.814

Distribution Coefficient, logD

0.616

Water Solubility, LogSw

-3.07

Polar Surface Area

63.073

Acid Dissociation Constant (pKa)

5.48

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

R153-0179 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with R153-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R153-0179?
Check Price and Availability of R153-0179, 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 R153-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R153-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R153-0179
  • 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 R153-0179 available by request