L589-3287 Screening compound: N~4~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-1-[(1-ethyl-2-methyl-1H-indol-3-yl)methyl]-4-piperidinecarboxamide

L589-3287 Screening compound: N~4~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-1-[(1-ethyl-2-methyl-1H-indol-3-yl)methyl]-4-piperidinecarboxamide
L589-3287 Screening compound: N~4~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-1-[(1-ethyl-2-methyl-1H-indol-3-yl)methyl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L589-3287
N~4~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-1-[(1-ethyl-2-methyl-1H-indol-3-yl)methyl]-4-piperidinecarboxamide

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

L589-3287

Molecular Formula

C30H40N4O (C30 H40 N4 O)

Compound Name

N~4~-{3-[3,4-dihydro-2(1H)-isoquinolinyl]propyl}-1-[(1-ethyl-2-methyl-1H-indol-3-yl)methyl]-4-piperidinecarboxamide

IUPAC name

1-[(1-ethyl-2-methyl-1H-indol-3-yl)methyl]-N-[3-(1234-tetrahydroisoquinolin-2-yl)propyl]piperidine-4-carboxamide

SMILES

CCn1c(cccc2)c2c(CN(CC2)CCC2C(NCCCN(CC2)Cc3c2cccc3)=O)c1C

InChI

InChI=1S/C30H40N4O/c1-3-34-23(2)28(27-11-6-7-12-29(27)34)22-33-19-14-25(15-20-33)30(35)31-16-8-17-32-18-13-24-9-4-5-10-26(24)21-32/h4-7,9-12,25H,3,8,13-22H2,1-2H3,(H,31,35)

InChI Key

RLWXSPKMSAPUNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27464396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.254

Distribution Coefficient, logD

-1.234

Water Solubility, LogSw

-3.95

Polar Surface Area

33.067

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

12.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

L589-3287 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with L589-3287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L589-3287?
Check Price and Availability of L589-3287, 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 L589-3287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L589-3287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L589-3287
  • 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 L589-3287 available by request