D011-0133 Screening compound: N-(2-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide

D011-0133 Screening compound: N-(2-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide
D011-0133 Screening compound: N-(2-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-0133
N-(2-{1-[2-(2,4-dimethylphenoxy)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

D011-0133

Molecular Formula

C26H33N3O2 (C26 H33 N3 O2)

Compound Name

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

IUPAC name

N-(2-{1-[2-(24-dimethylphenoxy)ethyl]-1H-13-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide

SMILES

Cc(cc1)cc(C)c1OCCn1c(cccc2)c2nc1CCNC(C1CCCCC1)=O

InChI

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

InChI Key

UGXIOQAVYRKZSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07440470

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

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.868

Distribution Coefficient, logD

5.868

Water Solubility, LogSw

-5.26

Polar Surface Area

43.073

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

D011-0133 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D011-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-0133?
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What is the minimum amount of D011-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-0133
  • 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 D011-0133 available by request