D411-0042 Screening compound: N-{5-ethyl-3-[(piperidin-1-yl)(pyridin-2-yl)methyl]thiophen-2-yl}furan-2-carboxamide

D411-0042 Screening compound: N-{5-ethyl-3-[(piperidin-1-yl)(pyridin-2-yl)methyl]thiophen-2-yl}furan-2-carboxamide
D411-0042 Screening compound: N-{5-ethyl-3-[(piperidin-1-yl)(pyridin-2-yl)methyl]thiophen-2-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D411-0042
N-{5-ethyl-3-[(piperidin-1-yl)(pyridin-2-yl)methyl]thiophen-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

D411-0042

Molecular Formula

C22H25N3O2S (C22 H25 N3 O2 S)

Compound Name

N-{5-ethyl-3-[(piperidin-1-yl)(pyridin-2-yl)methyl]thiophen-2-yl}furan-2-carboxamide

IUPAC name

N-{5-ethyl-3-[(piperidin-1-yl)(pyridin-2-yl)methyl]thiophen-2-yl}furan-2-carboxamide

SMILES

CCc1cc(C(c2ncccc2)N2CCCCC2)c(NC(c2ccco2)=O)s1

InChI

InChI=1S/C22H25N3O2S/c1-2-16-15-17(22(28-16)24-21(26)19-10-8-14-27-19)20(18-9-4-5-11-23-18)25-12-6-3-7-13-25/h4-5,8-11,14-15,20H,2-3,6-7,12-13H2,1H3,(H,24,26)/t20-/m0/s1

InChI Key

KRGLVOYCBDVJND-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD09540183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.988

Distribution Coefficient, logD

2.266

Water Solubility, LogSw

-3.92

Polar Surface Area

43.504

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

9.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

D411-0042 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D411-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D411-0042?
Check Price and Availability of D411-0042, 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 D411-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D411-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D411-0042
  • 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 D411-0042 available by request