D011-0101 Screening compound: N-{2-[1-(3-phenoxypropyl)-1H-1,3-benzodiazol-2-yl]ethyl}cyclohexanecarboxamide

D011-0101 Screening compound: N-{2-[1-(3-phenoxypropyl)-1H-1,3-benzodiazol-2-yl]ethyl}cyclohexanecarboxamide
D011-0101 Screening compound: N-{2-[1-(3-phenoxypropyl)-1H-1,3-benzodiazol-2-yl]ethyl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-0101
N-{2-[1-(3-phenoxypropyl)-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

D011-0101

Molecular Formula

C25H31N3O2 (C25 H31 N3 O2)

Compound Name

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

IUPAC name

N-{2-[1-(3-phenoxypropyl)-1H-13-benzodiazol-2-yl]ethyl}cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)NCCc1nc(cccc2)c2n1CCCOc1ccccc1

InChI

InChI=1S/C25H31N3O2/c29-25(20-10-3-1-4-11-20)26-17-16-24-27-22-14-7-8-15-23(22)28(24)18-9-19-30-21-12-5-2-6-13-21/h2,5-8,12-15,20H,1,3-4,9-11,16-19H2,(H,26,29)

InChI Key

IZCOHDOCKNYCIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06751918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.54

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

5.002

Distribution Coefficient, logD

5.000

Water Solubility, LogSw

-4.60

Polar Surface Area

42.986

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

D011-0101 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D011-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-0101?
Check Price and Availability of D011-0101, 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 D011-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-0101
  • 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 D011-0101 available by request