7649-0012 Screening compound: methyl 4-(2-hydroxy-3-{[2-hydroxy-3-(1H-indol-1-yl)propyl](2-hydroxyethyl)amino}propoxy)benzoate

7649-0012 Screening compound: methyl 4-(2-hydroxy-3-{[2-hydroxy-3-(1H-indol-1-yl)propyl](2-hydroxyethyl)amino}propoxy)benzoate
7649-0012 Screening compound: methyl 4-(2-hydroxy-3-{[2-hydroxy-3-(1H-indol-1-yl)propyl](2-hydroxyethyl)amino}propoxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7649-0012
methyl 4-(2-hydroxy-3-{[2-hydroxy-3-(1H-indol-1-yl)propyl](2-hydroxyethyl)amino}propoxy)benzoate

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

7649-0012

Molecular Formula

C24H30N2O6 (C24 H30 N2 O6)

Compound Name

methyl 4-(2-hydroxy-3-{[2-hydroxy-3-(1H-indol-1-yl)propyl](2-hydroxyethyl)amino}propoxy)benzoate

IUPAC name

methyl 4-(2-hydroxy-3-{[2-hydroxy-3-(1H-indol-1-yl)propyl](2-hydroxyethyl)amino}propoxy)benzoate

SMILES

COC(c(cc1)ccc1OCC(CN(CCO)CC(Cn(cc1)c2c1cccc2)O)O)=O

InChI

InChI=1S/C24H30N2O6/c1-31-24(30)19-6-8-22(9-7-19)32-17-21(29)15-25(12-13-27)14-20(28)16-26-11-10-18-4-2-3-5-23(18)26/h2-11,20-21,27-29H,12-17H2,1H3

InChI Key

QNUHZILWONFXCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06405541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.743

Distribution Coefficient, logD

2.697

Water Solubility, LogSw

-2.69

Polar Surface Area

84.607

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

7649-0012 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 7649-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7649-0012?
Check Price and Availability of 7649-0012, 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 7649-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7649-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7649-0012
  • 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 7649-0012 available by request