D016-0085 Screening compound: 1-[5-(2-hydroxy-3-piperidinopropoxy)-2-methyl-1H-indol-3-yl]-1-ethanone

D016-0085 Screening compound: 1-[5-(2-hydroxy-3-piperidinopropoxy)-2-methyl-1H-indol-3-yl]-1-ethanone
D016-0085 Screening compound: 1-[5-(2-hydroxy-3-piperidinopropoxy)-2-methyl-1H-indol-3-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound D016-0085
1-[5-(2-hydroxy-3-piperidinopropoxy)-2-methyl-1H-indol-3-yl]-1-ethanone

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

D016-0085

Molecular Formula

C19H26N2O3 (C19 H26 N2 O3)

Compound Name

1-[5-(2-hydroxy-3-piperidinopropoxy)-2-methyl-1H-indol-3-yl]-1-ethanone

IUPAC name

n/a

SMILES

CC(c1c(C)[nH]c(cc2)c1cc2OCC(CN1CCCCC1)O)=O

InChI

InChI=1S/C19H26N2O3/c1-13-19(14(2)22)17-10-16(6-7-18(17)20-13)24-12-15(23)11-21-8-4-3-5-9-21/h6-7,10,15,20,23H,3-5,8-9,11-12H2,1-2H3/t15-/m0/s1

InChI Key

WWHSEBQQWSIECE-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14810843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.540

Distribution Coefficient, logD

1.168

Water Solubility, LogSw

-2.83

Polar Surface Area

51.842

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.60

D016-0085 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D016-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D016-0085?
Check Price and Availability of D016-0085, 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 D016-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D016-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D016-0085
  • 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 D016-0085 available by request