D011-0187 Screening compound: N-(2-{1-[(2,4,6-trimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide

D011-0187 Screening compound: N-(2-{1-[(2,4,6-trimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide
D011-0187 Screening compound: N-(2-{1-[(2,4,6-trimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-0187
N-(2-{1-[(2,4,6-trimethylphenyl)methyl]-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

D011-0187

Molecular Formula

C26H33N3O (C26 H33 N3 O)

Compound Name

N-(2-{1-[(2,4,6-trimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide

IUPAC name

N-(2-{1-[(246-trimethylphenyl)methyl]-1H-13-benzodiazol-2-yl}ethyl)cyclohexanecarboxamide

SMILES

Cc1cc(C)c(Cn2c(cccc3)c3nc2CCNC(C2CCCCC2)=O)c(C)c1

InChI

InChI=1S/C26H33N3O/c1-18-15-19(2)22(20(3)16-18)17-29-24-12-8-7-11-23(24)28-25(29)13-14-27-26(30)21-9-5-4-6-10-21/h7-8,11-12,15-16,21H,4-6,9-10,13-14,17H2,1-3H3,(H,27,30)

InChI Key

JTJINLUQRLDOGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07440506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.120

Distribution Coefficient, logD

5.946

Water Solubility, LogSw

-5.20

Polar Surface Area

35.590

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

D011-0187 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D011-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-0187?
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What is the minimum amount of D011-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-0187
  • 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 D011-0187 available by request