5786-1400 Screening compound: 1-(1-hexyl-1H-1,3-benzodiazol-2-yl)ethan-1-ol

5786-1400 Screening compound: 1-(1-hexyl-1H-1,3-benzodiazol-2-yl)ethan-1-ol
5786-1400 Screening compound: 1-(1-hexyl-1H-1,3-benzodiazol-2-yl)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5786-1400
1-(1-hexyl-1H-1,3-benzodiazol-2-yl)ethan-1-ol

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

5786-1400

Molecular Formula

C15H22N2O (C15 H22 N2 O)

Compound Name

1-(1-hexyl-1H-1,3-benzodiazol-2-yl)ethan-1-ol

IUPAC name

1-(1-hexyl-1H-13-benzodiazol-2-yl)ethan-1-ol

SMILES

CCCCCCn1c(cccc2)c2nc1C(C)O

InChI

InChI=1S/C15H22N2O/c1-3-4-5-8-11-17-14-10-7-6-9-13(14)16-15(17)12(2)18/h6-7,9-10,12,18H,3-5,8,11H2,1-2H3/t12-/m0/s1

InChI Key

LNUMEZKUSAWDJM-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01960781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.35

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.987

Distribution Coefficient, logD

3.986

Water Solubility, LogSw

-3.85

Polar Surface Area

26.428

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

5786-1400 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5786-1400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5786-1400?
Check Price and Availability of 5786-1400, 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 5786-1400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5786-1400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5786-1400
  • 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 5786-1400 available by request