D011-0137 Screening compound: N-(2-{1-[2-(4-ethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide

D011-0137 Screening compound: N-(2-{1-[2-(4-ethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide
D011-0137 Screening compound: N-(2-{1-[2-(4-ethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-0137
N-(2-{1-[2-(4-ethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide

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

D011-0137

Molecular Formula

C26H33N3O2 (C26 H33 N3 O2)

Compound Name

N-(2-{1-[2-(4-ethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide

IUPAC name

N-(2-{1-[2-(4-ethylphenoxy)ethyl]-1H-13-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide

SMILES

CCc(cc1)ccc1OCCn1c(cccc2)c2nc1CCNC(C1CCCCC1)=O

InChI

InChI=1S/C26H33N3O2/c1-2-20-12-14-22(15-13-20)31-19-18-29-24-11-7-6-10-23(24)28-25(29)16-17-27-26(30)21-8-4-3-5-9-21/h6-7,10-15,21H,2-5,8-9,16-19H2,1H3,(H,27,30)

InChI Key

HCBOYSPMGRQNHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07440472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.738

Distribution Coefficient, logD

5.738

Water Solubility, LogSw

-5.21

Polar Surface Area

42.986

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

D011-0137 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D011-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-0137?
Check Price and Availability of D011-0137, 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 D011-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-0137
  • 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 D011-0137 available by request