D411-0082 Screening compound: N-(3-{[4-(difluoromethoxy)phenyl](piperidin-1-yl)methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide

D411-0082 Screening compound: N-(3-{[4-(difluoromethoxy)phenyl](piperidin-1-yl)methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
D411-0082 Screening compound: N-(3-{[4-(difluoromethoxy)phenyl](piperidin-1-yl)methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D411-0082
N-(3-{[4-(difluoromethoxy)phenyl](piperidin-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

D411-0082

Molecular Formula

C26H28F2N2O3S (C26 H28 F2 N2 O3 S)

Compound Name

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

IUPAC name

N-(3-{[4-(difluoromethoxy)phenyl](piperidin-1-yl)methyl}-4567-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide

SMILES

O=C(c1ccco1)Nc1c(C(c(cc2)ccc2OC(F)F)N2CCCCC2)c(CCCC2)c2s1

InChI

InChI=1S/C26H28F2N2O3S/c27-26(28)33-18-12-10-17(11-13-18)23(30-14-4-1-5-15-30)22-19-7-2-3-9-21(19)34-25(22)29-24(31)20-8-6-16-32-20/h6,8,10-13,16,23,26H,1-5,7,9,14-15H2,(H,29,31)/t23-/m1/s1

InChI Key

PJBCWNHLTNLPBR-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD09540194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.689

Distribution Coefficient, logD

3.145

Water Solubility, LogSw

-5.59

Polar Surface Area

40.981

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

D411-0082 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D411-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D411-0082?
Check Price and Availability of D411-0082, 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 D411-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D411-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D411-0082
  • 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 D411-0082 available by request