L589-1106 Screening compound: [4-(1,3-benzodioxol-5-ylmethyl)piperazino]{1-[(1-methyl-1H-indol-3-yl)methyl]-4-piperidyl}methanone

L589-1106 Screening compound: [4-(1,3-benzodioxol-5-ylmethyl)piperazino]{1-[(1-methyl-1H-indol-3-yl)methyl]-4-piperidyl}methanone
L589-1106 Screening compound: [4-(1,3-benzodioxol-5-ylmethyl)piperazino]{1-[(1-methyl-1H-indol-3-yl)methyl]-4-piperidyl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound L589-1106
[4-(1,3-benzodioxol-5-ylmethyl)piperazino]{1-[(1-methyl-1H-indol-3-yl)methyl]-4-piperidyl}methanone

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

L589-1106

Molecular Formula

C28H34N4O3 (C28 H34 N4 O3)

Compound Name

[4-(1,3-benzodioxol-5-ylmethyl)piperazino]{1-[(1-methyl-1H-indol-3-yl)methyl]-4-piperidyl}methanone

IUPAC name

3-[(4-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidin-1-yl)methyl]-1-methyl-1H-indole

SMILES

Cn1c(cccc2)c2c(CN(CC2)CCC2C(N2CCN(Cc(cc3)cc4c3OCO4)CC2)=O)c1

InChI

InChI=1S/C28H34N4O3/c1-29-18-23(24-4-2-3-5-25(24)29)19-30-10-8-22(9-11-30)28(33)32-14-12-31(13-15-32)17-21-6-7-26-27(16-21)35-20-34-26/h2-7,16,18,22H,8-15,17,19-20H2,1H3

InChI Key

LXRLBSAFYAYIGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27464117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.062

Distribution Coefficient, logD

-2.102

Water Solubility, LogSw

-3.03

Polar Surface Area

43.835

Acid Dissociation Constant (pKa)

23.93

Base Dissociation Constant (pKb)

12.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.43

L589-1106 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with L589-1106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L589-1106?
Check Price and Availability of L589-1106, 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 L589-1106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L589-1106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L589-1106
  • 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 L589-1106 available by request