E907-0013 Screening compound: ethyl 4-[({[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]carbamoyl}amino)methyl]cyclohexane-1-carboxylate

E907-0013 Screening compound: ethyl 4-[({[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]carbamoyl}amino)methyl]cyclohexane-1-carboxylate
E907-0013 Screening compound: ethyl 4-[({[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]carbamoyl}amino)methyl]cyclohexane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E907-0013
ethyl 4-[({[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]carbamoyl}amino)methyl]cyclohexane-1-carboxylate

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

E907-0013

Molecular Formula

C26H37N5O3 (C26 H37 N5 O3)

Compound Name

ethyl 4-[({[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]carbamoyl}amino)methyl]cyclohexane-1-carboxylate

IUPAC name

ethyl 4-[({[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]carbamoyl}amino)methyl]cyclohexane-1-carboxylate

SMILES

CCOC(C1CCC(CNC(Nc2cc3c(C)cc(N4CCN(C)CC4)nc3cc2)=O)CC1)=O

InChI

InChI=1S/C26H37N5O3/c1-4-34-25(32)20-7-5-19(6-8-20)17-27-26(33)28-21-9-10-23-22(16-21)18(2)15-24(29-23)31-13-11-30(3)12-14-31/h9-10,15-16,19-20H,4-8,11-14,17H2,1-3H3,(H2,27,28,33)

InChI Key

SAFAZEYRZVFVES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.071

Distribution Coefficient, logD

4.501

Water Solubility, LogSw

-4.75

Polar Surface Area

69.533

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.70

E907-0013 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

Purinergic Library (3321 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E907-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E907-0013?
Check Price and Availability of E907-0013, 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 E907-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E907-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E907-0013
  • 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 E907-0013 available by request