8014-3865 Screening compound: benzyl N-(1-benzyl-2-{[2-(4-cyclohexylphenoxy)ethyl]amino}-2-oxoethyl)carbamate

8014-3865 Screening compound: benzyl N-(1-benzyl-2-{[2-(4-cyclohexylphenoxy)ethyl]amino}-2-oxoethyl)carbamate
8014-3865 Screening compound: benzyl N-(1-benzyl-2-{[2-(4-cyclohexylphenoxy)ethyl]amino}-2-oxoethyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-3865
benzyl N-(1-benzyl-2-{[2-(4-cyclohexylphenoxy)ethyl]amino}-2-oxoethyl)carbamate

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

8014-3865

Molecular Formula

C31H36N2O4 (C31 H36 N2 O4)

Compound Name

benzyl N-(1-benzyl-2-{[2-(4-cyclohexylphenoxy)ethyl]amino}-2-oxoethyl)carbamate

IUPAC name

benzyl N-(1-{[2-(4-cyclohexylphenoxy)ethyl]carbamoyl}-2-phenylethyl)carbamate

SMILES

O=C(C(Cc1ccccc1)NC(OCc1ccccc1)=O)NCCOc1ccc(C2CCCCC2)cc1

InChI

InChI=1S/C31H36N2O4/c34-30(32-20-21-36-28-18-16-27(17-19-28)26-14-8-3-9-15-26)29(22-24-10-4-1-5-11-24)33-31(35)37-23-25-12-6-2-7-13-25/h1-2,4-7,10-13,16-19,26,29H,3,8-9,14-15,20-23H2,(H,32,34)(H,33,35)/t29-/m0/s1

InChI Key

SQGDXMFALQDSSC-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD03368366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.301

Distribution Coefficient, logD

7.301

Water Solubility, LogSw

-5.94

Polar Surface Area

64.332

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.48

8014-3865 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 8014-3865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-3865?
Check Price and Availability of 8014-3865, 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 8014-3865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-3865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-3865
  • 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 8014-3865 available by request