5586-2592 Screening compound: 4-CHLORO-N-(2-{3-[(DIETHYLAMINO)METHYL]-4-HYDROXYPHENYL}ETHYL)BENZAMIDE

5586-2592 Screening compound: 4-CHLORO-N-(2-{3-[(DIETHYLAMINO)METHYL]-4-HYDROXYPHENYL}ETHYL)BENZAMIDE
5586-2592 Screening compound: 4-CHLORO-N-(2-{3-[(DIETHYLAMINO)METHYL]-4-HYDROXYPHENYL}ETHYL)BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5586-2592
4-CHLORO-N-(2-{3-[(DIETHYLAMINO)METHYL]-4-HYDROXYPHENYL}ETHYL)BENZAMIDE

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

5586-2592

Molecular Formula

C20H25ClN2O2 (C20 H25 ClN2 O2)

Compound Name

4-CHLORO-N-(2-{3-[(DIETHYLAMINO)METHYL]-4-HYDROXYPHENYL}ETHYL)BENZAMIDE

IUPAC name

n/a

SMILES

CCN(CC)Cc(cc(CCNC(c(cc1)ccc1Cl)=O)cc1)c1O

InChI

InChI=1S/C20H25ClN2O2/c1-3-23(4-2)14-17-13-15(5-10-19(17)24)11-12-22-20(25)16-6-8-18(21)9-7-16/h5-10,13,24H,3-4,11-12,14H2,1-2H3,(H,22,25)

InChI Key

KYKCJPKYNHVTLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00977569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.233

Distribution Coefficient, logD

0.724

Water Solubility, LogSw

-3.55

Polar Surface Area

44.474

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

9.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.00

5586-2592 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 5586-2592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5586-2592?
Check Price and Availability of 5586-2592, 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 5586-2592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5586-2592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5586-2592
  • 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 5586-2592 available by request