D411-0195 Screening compound: N-{3-[(3-fluorophenyl)(morpholin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide

D411-0195 Screening compound: N-{3-[(3-fluorophenyl)(morpholin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide
D411-0195 Screening compound: N-{3-[(3-fluorophenyl)(morpholin-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D411-0195
N-{3-[(3-fluorophenyl)(morpholin-4-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

D411-0195

Molecular Formula

C24H25FN2O3S (C24 H25 FN2 O3 S)

Compound Name

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

IUPAC name

N-{3-[(3-fluorophenyl)(morpholin-4-yl)methyl]-4567-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide

SMILES

O=C(c1ccco1)Nc1c(C(c2cc(F)ccc2)N2CCOCC2)c(CCCC2)c2s1

InChI

InChI=1S/C24H25FN2O3S/c25-17-6-3-5-16(15-17)22(27-10-13-29-14-11-27)21-18-7-1-2-9-20(18)31-24(21)26-23(28)19-8-4-12-30-19/h3-6,8,12,15,22H,1-2,7,9-11,13-14H2,(H,26,28)/t22-/m1/s1

InChI Key

KOTPPPXUVPLNIS-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD09540233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.690

Distribution Coefficient, logD

4.333

Water Solubility, LogSw

-4.64

Polar Surface Area

42.285

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

7.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

D411-0195 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 D411-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D411-0195?
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What is the minimum amount of D411-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D411-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D411-0195
  • 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 D411-0195 available by request