E941-0417 Screening compound: N-({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)-8-methyl-1H-pyrrolo[3,2-h]quinoline-2-carboxamide

E941-0417 Screening compound: N-({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)-8-methyl-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
E941-0417 Screening compound: N-({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)-8-methyl-1H-pyrrolo[3,2-h]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E941-0417
N-({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)-8-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

E941-0417

Molecular Formula

C27H29FN4O (C27 H29 FN4 O)

Compound Name

N-({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)-8-methyl-1H-pyrrolo[3,2-h]quinoline-2-carboxamide

IUPAC name

N-({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)-8-methyl-1H-pyrrolo[32-h]quinoline-2-carboxamide

SMILES

Cc1ccc(ccc2c3[nH]c(C(NCC4CCN(CCc(cc5)ccc5F)CC4)=O)c2)c3n1

InChI

InChI=1S/C27H29FN4O/c1-18-2-5-21-6-7-22-16-24(31-26(22)25(21)30-18)27(33)29-17-20-11-14-32(15-12-20)13-10-19-3-8-23(28)9-4-19/h2-9,16,20,31H,10-15,17H2,1H3,(H,29,33)

InChI Key

XKEZXZIQFKHCQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27093558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.828

Distribution Coefficient, logD

2.347

Water Solubility, LogSw

-4.74

Polar Surface Area

47.390

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

9.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E941-0417 in Drug Discovery

Included in Screening Libraries

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

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

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with E941-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E941-0417?
Check Price and Availability of E941-0417, 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 E941-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E941-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E941-0417
  • 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 E941-0417 available by request