D016-0588 Screening compound: 1-(5-{2-hydroxy-3-[(2-phenylethyl)amino]propoxy}-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl)ethan-1-one

D016-0588 Screening compound: 1-(5-{2-hydroxy-3-[(2-phenylethyl)amino]propoxy}-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl)ethan-1-one
D016-0588 Screening compound: 1-(5-{2-hydroxy-3-[(2-phenylethyl)amino]propoxy}-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D016-0588
1-(5-{2-hydroxy-3-[(2-phenylethyl)amino]propoxy}-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl)ethan-1-one

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

D016-0588

Molecular Formula

C29H32N2O3 (C29 H32 N2 O3)

Compound Name

1-(5-{2-hydroxy-3-[(2-phenylethyl)amino]propoxy}-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl)ethan-1-one

IUPAC name

1-(5-{2-hydroxy-3-[(2-phenylethyl)amino]propoxy}-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl)ethan-1-one

SMILES

CC(c(c1c2ccc(OCC(CNCCc3ccccc3)O)c1)c(C)n2-c1ccc(C)cc1)=O

InChI

InChI=1S/C29H32N2O3/c1-20-9-11-24(12-10-20)31-21(2)29(22(3)32)27-17-26(13-14-28(27)31)34-19-25(33)18-30-16-15-23-7-5-4-6-8-23/h4-14,17,25,30,33H,15-16,18-19H2,1-3H3/t25-/m0/s1

InChI Key

WZILFJQNQUQCPP-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14810859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.545

Distribution Coefficient, logD

3.169

Water Solubility, LogSw

-4.44

Polar Surface Area

51.735

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

8.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

D016-0588 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D016-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D016-0588?
Check Price and Availability of D016-0588, 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 D016-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D016-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D016-0588
  • 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 D016-0588 available by request