D411-0582 Screening compound: N-{3-[(2H-1,3-benzodioxol-5-yl)(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide

D411-0582 Screening compound: N-{3-[(2H-1,3-benzodioxol-5-yl)(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide
D411-0582 Screening compound: N-{3-[(2H-1,3-benzodioxol-5-yl)(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D411-0582
N-{3-[(2H-1,3-benzodioxol-5-yl)(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-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

D411-0582

Molecular Formula

C26H29N3O4S (C26 H29 N3 O4 S)

Compound Name

N-{3-[(2H-1,3-benzodioxol-5-yl)(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide

IUPAC name

N-{3-[(2H-13-benzodioxol-5-yl)(4-methylpiperazin-1-yl)methyl]-4567-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide

SMILES

CN(CC1)CCN1C(c1c(NC(c2ccco2)=O)sc2c1CCCC2)c(cc1)cc2c1OCO2

InChI

InChI=1S/C26H29N3O4S/c1-28-10-12-29(13-11-28)24(17-8-9-19-21(15-17)33-16-32-19)23-18-5-2-3-7-22(18)34-26(23)27-25(30)20-6-4-14-31-20/h4,6,8-9,14-15,24H,2-3,5,7,10-13,16H2,1H3,(H,27,30)/t24-/m1/s1

InChI Key

XJKGTZXWQFTBHO-XMMPIXPASA-N

MDL Number (MFCD)

MFCD09540400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.502

Distribution Coefficient, logD

1.988

Water Solubility, LogSw

-4.23

Polar Surface Area

54.969

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

10.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

D411-0582 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D411-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D411-0582?
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What is the minimum amount of D411-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D411-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D411-0582
  • 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 D411-0582 available by request