3282-0471 Screening compound: (4-methylphenyl)(1-propyl-1H-1,3-benzodiazol-2-yl)methanol

3282-0471 Screening compound: (4-methylphenyl)(1-propyl-1H-1,3-benzodiazol-2-yl)methanol
3282-0471 Screening compound: (4-methylphenyl)(1-propyl-1H-1,3-benzodiazol-2-yl)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3282-0471
(4-methylphenyl)(1-propyl-1H-1,3-benzodiazol-2-yl)methanol

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

3282-0471

Molecular Formula

C18H20N2O (C18 H20 N2 O)

Compound Name

(4-methylphenyl)(1-propyl-1H-1,3-benzodiazol-2-yl)methanol

IUPAC name

n/a

SMILES

CCCn1c(cccc2)c2nc1C(c1ccc(C)cc1)O

InChI

InChI=1S/C18H20N2O/c1-3-12-20-16-7-5-4-6-15(16)19-18(20)17(21)14-10-8-13(2)9-11-14/h4-11,17,21H,3,12H2,1-2H3/t17-/m1/s1

InChI Key

JHGYDWJQXBVLNU-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD02107871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.147

Distribution Coefficient, logD

4.147

Water Solubility, LogSw

-3.98

Polar Surface Area

25.830

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

3282-0471 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3282-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3282-0471?
Check Price and Availability of 3282-0471, 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 3282-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3282-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3282-0471
  • 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 3282-0471 available by request