F936-0681 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(piperidin-1-yl)ethyl]ethanediamide

F936-0681 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(piperidin-1-yl)ethyl]ethanediamide
F936-0681 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(piperidin-1-yl)ethyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F936-0681
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(piperidin-1-yl)ethyl]ethanediamide

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

F936-0681

Molecular Formula

C27H34N4O4 (C27 H34 N4 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[2-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(piperidin-1-yl)ethyl]ethanediamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-N'-[2-(1-methyl-1234-tetrahydroquinolin-6-yl)-2-(piperidin-1-yl)ethyl]ethanediamide

SMILES

CN(CCC1)c2c1cc(C(CNC(C(NCc(cc1)cc3c1OCO3)=O)=O)N1CCCCC1)cc2

InChI

InChI=1S/C27H34N4O4/c1-30-11-5-6-20-15-21(8-9-22(20)30)23(31-12-3-2-4-13-31)17-29-27(33)26(32)28-16-19-7-10-24-25(14-19)35-18-34-24/h7-10,14-15,23H,2-6,11-13,16-18H2,1H3,(H,28,32)(H,29,33)/t23-/m0/s1

InChI Key

GRICWYRWHGUHGV-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD08946526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.59

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

2.400

Distribution Coefficient, logD

1.353

Water Solubility, LogSw

-2.99

Polar Surface Area

71.991

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

8.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

F936-0681 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with F936-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F936-0681?
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What is the minimum amount of F936-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F936-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F936-0681
  • 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 F936-0681 available by request