C760-0778 Screening compound: N-{2-[ethyl(phenyl)amino]ethyl}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C760-0778 Screening compound: N-{2-[ethyl(phenyl)amino]ethyl}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
C760-0778 Screening compound: N-{2-[ethyl(phenyl)amino]ethyl}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C760-0778
N-{2-[ethyl(phenyl)amino]ethyl}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-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

C760-0778

Molecular Formula

C20H26N2OS (C20 H26 N2 OS)

Compound Name

N-{2-[ethyl(phenyl)amino]ethyl}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-{2-[ethyl(phenyl)amino]ethyl}-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CCN(CCNC(c1csc2c1CCC(C)C2)=O)c1ccccc1

InChI

InChI=1S/C20H26N2OS/c1-3-22(16-7-5-4-6-8-16)12-11-21-20(23)18-14-24-19-13-15(2)9-10-17(18)19/h4-8,14-15H,3,9-13H2,1-2H3,(H,21,23)/t15-/m1/s1

InChI Key

XBVATMDOQVRFSS-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14791980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.51

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.824

Distribution Coefficient, logD

4.823

Water Solubility, LogSw

-4.47

Polar Surface Area

28.422

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

7.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

C760-0778 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C760-0778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C760-0778?
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What is the minimum amount of C760-0778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C760-0778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C760-0778
  • 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 C760-0778 available by request