D011-0131 Screening compound: N-(2-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide

D011-0131 Screening compound: N-(2-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide
D011-0131 Screening compound: N-(2-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-0131
N-(2-{1-[2-(3-methylphenoxy)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

D011-0131

Molecular Formula

C25H31N3O2 (C25 H31 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(OCCn2c(cccc3)c3nc2CCNC(C2CCCCC2)=O)c1

InChI

InChI=1S/C25H31N3O2/c1-19-8-7-11-21(18-19)30-17-16-28-23-13-6-5-12-22(23)27-24(28)14-15-26-25(29)20-9-3-2-4-10-20/h5-8,11-13,18,20H,2-4,9-10,14-17H2,1H3,(H,26,29)

InChI Key

FZYFUIKFLFDHEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06751921

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

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.299

Distribution Coefficient, logD

5.298

Water Solubility, LogSw

-5.03

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

44.00

D011-0131 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D011-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-0131?
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What is the minimum amount of D011-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-0131
  • 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 D011-0131 available by request