8011-5916 Screening compound: N-(2-ethylphenyl)-N'-[4-(2-methylbutan-2-yl)cyclohexyl]ethanediamide

8011-5916 Screening compound: N-(2-ethylphenyl)-N'-[4-(2-methylbutan-2-yl)cyclohexyl]ethanediamide
8011-5916 Screening compound: N-(2-ethylphenyl)-N'-[4-(2-methylbutan-2-yl)cyclohexyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5916
N-(2-ethylphenyl)-N'-[4-(2-methylbutan-2-yl)cyclohexyl]ethanediamide

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

8011-5916

Molecular Formula

C21H32N2O2 (C21 H32 N2 O2)

Compound Name

N-(2-ethylphenyl)-N'-[4-(2-methylbutan-2-yl)cyclohexyl]ethanediamide

IUPAC name

N-(2-ethylphenyl)-N'-[4-(2-methylbutan-2-yl)cyclohexyl]ethanediamide

SMILES

CCC(C)(C)C(CC1)CCC1NC(C(Nc1c(CC)cccc1)=O)=O

InChI

InChI=1S/C21H32N2O2/c1-5-15-9-7-8-10-18(15)23-20(25)19(24)22-17-13-11-16(12-14-17)21(3,4)6-2/h7-10,16-17H,5-6,11-14H2,1-4H3,(H,22,24)(H,23,25)

InChI Key

QJYNHOKABDVJJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02815289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.830

Distribution Coefficient, logD

4.771

Water Solubility, LogSw

-4.46

Polar Surface Area

47.042

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

8011-5916 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8011-5916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5916?
Check Price and Availability of 8011-5916, 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 8011-5916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5916
  • 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 8011-5916 available by request