8009-5010 Screening compound: (4-ethoxyphenyl)(1-propyl-1H-1,3-benzodiazol-2-yl)methanol

8009-5010 Screening compound: (4-ethoxyphenyl)(1-propyl-1H-1,3-benzodiazol-2-yl)methanol
8009-5010 Screening compound: (4-ethoxyphenyl)(1-propyl-1H-1,3-benzodiazol-2-yl)methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5010
(4-ethoxyphenyl)(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

8009-5010

Molecular Formula

C19H22N2O2 (C19 H22 N2 O2)

Compound Name

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

IUPAC name

(4-ethoxyphenyl)(1-propyl-1H-13-benzodiazol-2-yl)methanol

SMILES

CCCn1c(cccc2)c2nc1C(c(cc1)ccc1OCC)O

InChI

InChI=1S/C19H22N2O2/c1-3-13-21-17-8-6-5-7-16(17)20-19(21)18(22)14-9-11-15(12-10-14)23-4-2/h5-12,18,22H,3-4,13H2,1-2H3/t18-/m1/s1

InChI Key

FPRFPKKBBMYQFO-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01470522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.093

Distribution Coefficient, logD

4.092

Water Solubility, LogSw

-3.92

Polar Surface Area

32.954

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

8009-5010 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 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 8009-5010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5010?
Check Price and Availability of 8009-5010, 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 8009-5010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5010
  • 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 8009-5010 available by request