R153-0165 Screening compound: 2-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,3-benzodiazole-5-carboxylic acid

R153-0165 Screening compound: 2-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,3-benzodiazole-5-carboxylic acid
R153-0165 Screening compound: 2-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,3-benzodiazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R153-0165
2-methyl-1-[4-(propan-2-yl)phenyl]-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

R153-0165

Molecular Formula

C18H18N2O2 (C18 H18 N2 O2)

Compound Name

2-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,3-benzodiazole-5-carboxylic acid

IUPAC name

2-methyl-1-[4-(propan-2-yl)phenyl]-1H-13-benzodiazole-5-carboxylic acid

SMILES

CC(C)c(cc1)ccc1-n1c(ccc(C(O)=O)c2)c2nc1C

InChI

InChI=1S/C18H18N2O2/c1-11(2)13-4-7-15(8-5-13)20-12(3)19-16-10-14(18(21)22)6-9-17(16)20/h4-11H,1-3H3,(H,21,22)

InChI Key

BTLSWBMEMDCLOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02939959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.463

Distribution Coefficient, logD

2.265

Water Solubility, LogSw

-4.28

Polar Surface Area

40.096

Acid Dissociation Constant (pKa)

5.48

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

R153-0165 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with R153-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R153-0165?
Check Price and Availability of R153-0165, 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 R153-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R153-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R153-0165
  • 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 R153-0165 available by request