8011-4794 Screening compound: N-benzyl-1-{1-[(2-chlorophenyl)(4-chlorophenyl)methyl]-1H-1,2,3,4-tetrazol-5-yl}cyclohexan-1-amine

8011-4794 Screening compound: N-benzyl-1-{1-[(2-chlorophenyl)(4-chlorophenyl)methyl]-1H-1,2,3,4-tetrazol-5-yl}cyclohexan-1-amine
8011-4794 Screening compound: N-benzyl-1-{1-[(2-chlorophenyl)(4-chlorophenyl)methyl]-1H-1,2,3,4-tetrazol-5-yl}cyclohexan-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-4794
N-benzyl-1-{1-[(2-chlorophenyl)(4-chlorophenyl)methyl]-1H-1,2,3,4-tetrazol-5-yl}cyclohexan-1-amine

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

8011-4794

Molecular Formula

C27H27Cl2N5 (C27 H27 Cl2 N5)

Compound Name

N-benzyl-1-{1-[(2-chlorophenyl)(4-chlorophenyl)methyl]-1H-1,2,3,4-tetrazol-5-yl}cyclohexan-1-amine

IUPAC name

N-benzyl-1-{1-[(2-chlorophenyl)(4-chlorophenyl)methyl]-1H-1234-tetrazol-5-yl}cyclohexan-1-amine

SMILES

Clc1ccc(C(c(cccc2)c2Cl)n2nnnc2C2(CCCCC2)NCc2ccccc2)cc1

InChI

InChI=1S/C27H27Cl2N5/c28-22-15-13-21(14-16-22)25(23-11-5-6-12-24(23)29)34-26(31-32-33-34)27(17-7-2-8-18-27)30-19-20-9-3-1-4-10-20/h1,3-6,9-16,25,30H,2,7-8,17-19H2/t25-/m0/s1

InChI Key

QHQBSEPBNNSUCX-VWLOTQADSA-N

MDL Number (MFCD)

MFCD02181812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.876

Distribution Coefficient, logD

6.874

Water Solubility, LogSw

-6.78

Polar Surface Area

49.929

Acid Dissociation Constant (pKa)

17.61

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

8011-4794 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Regenerative Medicine Focused Library (23016 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-4794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-4794?
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What is the minimum amount of 8011-4794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-4794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-4794
  • 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 8011-4794 available by request