E950-0346 Screening compound: N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide

E950-0346 Screening compound: N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
E950-0346 Screening compound: N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E950-0346
N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide

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

E950-0346

Molecular Formula

C26H28N4O (C26 H28 N4 O)

Compound Name

N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide

IUPAC name

N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-1H-pyrrolo[32-h]quinoline-2-carboxamide

SMILES

Cc1ccc(CN2CCC(CNC(c3cc(ccc4cccnc44)c4[nH]3)=O)CC2)cc1

InChI

InChI=1S/C26H28N4O/c1-18-4-6-20(7-5-18)17-30-13-10-19(11-14-30)16-28-26(31)23-15-22-9-8-21-3-2-12-27-24(21)25(22)29-23/h2-9,12,15,19,29H,10-11,13-14,16-17H2,1H3,(H,28,31)

InChI Key

NBGMDFSPDJFMEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14930327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.396

Distribution Coefficient, logD

1.675

Water Solubility, LogSw

-3.96

Polar Surface Area

48.037

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

E950-0346 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS Targets (44014 compounds)

Protein Arginine Methyltransferases Library (27925 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
  • 3D
Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E950-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E950-0346?
Check Price and Availability of E950-0346, 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 E950-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E950-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E950-0346
  • 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 E950-0346 available by request