4364-0124 Screening compound: 2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

4364-0124 Screening compound: 2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
4364-0124 Screening compound: 2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4364-0124
2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

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

4364-0124

Molecular Formula

C20H31NO3 (C20 H31 NO3)

Compound Name

2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

IUPAC name

2-(diethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

SMILES

CCN(CC)CCOC(C(C1CCCCC1)(c1ccccc1)O)=O

InChI

InChI=1S/C20H31NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18,23H,3-4,6,9-10,13-16H2,1-2H3/t20-/m0/s1

InChI Key

YXUBHIRQBSIPFE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03298953

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

333.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.117

Distribution Coefficient, logD

2.156

Water Solubility, LogSw

-3.85

Polar Surface Area

39.686

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

9.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

4364-0124 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
  • Nervous system
Structure:
  • Pool
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4364-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4364-0124?
Check Price and Availability of 4364-0124, 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 4364-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4364-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4364-0124
  • 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 4364-0124 available by request