R069-0003 Screening compound: 4-(1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-yl)phenol

R069-0003 Screening compound: 4-(1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-yl)phenol
R069-0003 Screening compound: 4-(1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound R069-0003
4-(1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-yl)phenol

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

R069-0003

Molecular Formula

C15H16N2O (C15 H16 N2 O)

Compound Name

4-(1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-yl)phenol

IUPAC name

4-(13-dimethyl-23-dihydro-1H-13-benzodiazol-2-yl)phenol

SMILES

CN1c(cccc2)c2N(C)C1c(cc1)ccc1O

InChI

InChI=1S/C15H16N2O/c1-16-13-5-3-4-6-14(13)17(2)15(16)11-7-9-12(18)10-8-11/h3-10,15,18H,1-2H3

InChI Key

VGALPIMTLSXPJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00610417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.3

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.377

Distribution Coefficient, logD

2.371

Water Solubility, LogSw

-1.58

Polar Surface Area

22.010

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

8.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

R069-0003 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 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
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with R069-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R069-0003?
Check Price and Availability of R069-0003, 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 R069-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R069-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R069-0003
  • 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 R069-0003 available by request