6026-0045 Screening compound: methyl 5-{[bis(2-hydroxyethyl)amino]methyl}-2-ethoxybenzoate

6026-0045 Screening compound: methyl 5-{[bis(2-hydroxyethyl)amino]methyl}-2-ethoxybenzoate
6026-0045 Screening compound: methyl 5-{[bis(2-hydroxyethyl)amino]methyl}-2-ethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6026-0045
methyl 5-{[bis(2-hydroxyethyl)amino]methyl}-2-ethoxybenzoate

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

6026-0045

Molecular Formula

C15H23NO5 (C15 H23 NO5)

Compound Name

methyl 5-{[bis(2-hydroxyethyl)amino]methyl}-2-ethoxybenzoate

IUPAC name

methyl 5-{[bis(2-hydroxyethyl)amino]methyl}-2-ethoxybenzoate

SMILES

CCOc(ccc(CN(CCO)CCO)c1)c1C(OC)=O

InChI

InChI=1S/C15H23NO5/c1-3-21-14-5-4-12(10-13(14)15(19)20-2)11-16(6-8-17)7-9-18/h4-5,10,17-18H,3,6-9,11H2,1-2H3

InChI Key

WXCWKMKSNGJMJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02187626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.101

Distribution Coefficient, logD

1.069

Water Solubility, LogSw

-2.33

Polar Surface Area

65.874

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

6026-0045 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6026-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6026-0045?
Check Price and Availability of 6026-0045, 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 6026-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6026-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6026-0045
  • 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 6026-0045 available by request