D444-0496 Screening compound: N-{3-[(4-ethoxyphenyl)[(pyridin-2-yl)amino]methyl]-4,5-dimethylthiophen-2-yl}furan-2-carboxamide

D444-0496 Screening compound: N-{3-[(4-ethoxyphenyl)[(pyridin-2-yl)amino]methyl]-4,5-dimethylthiophen-2-yl}furan-2-carboxamide
D444-0496 Screening compound: N-{3-[(4-ethoxyphenyl)[(pyridin-2-yl)amino]methyl]-4,5-dimethylthiophen-2-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D444-0496
N-{3-[(4-ethoxyphenyl)[(pyridin-2-yl)amino]methyl]-4,5-dimethylthiophen-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

D444-0496

Molecular Formula

C25H25N3O3S (C25 H25 N3 O3 S)

Compound Name

N-{3-[(4-ethoxyphenyl)[(pyridin-2-yl)amino]methyl]-4,5-dimethylthiophen-2-yl}furan-2-carboxamide

IUPAC name

N-{3-[(4-ethoxyphenyl)[(pyridin-2-yl)amino]methyl]-45-dimethylthiophen-2-yl}furan-2-carboxamide

SMILES

CCOc1ccc(C(c2c(NC(c3ccco3)=O)sc(C)c2C)Nc2ncccc2)cc1

InChI

InChI=1S/C25H25N3O3S/c1-4-30-19-12-10-18(11-13-19)23(27-21-9-5-6-14-26-21)22-16(2)17(3)32-25(22)28-24(29)20-8-7-15-31-20/h5-15,23H,4H2,1-3H3,(H,26,27)(H,28,29)/t23-/m1/s1

InChI Key

WAJKDEVMUTYZLI-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD05865609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.349

Distribution Coefficient, logD

5.218

Water Solubility, LogSw

-5.29

Polar Surface Area

57.756

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

6.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D444-0496 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 D444-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D444-0496?
Check Price and Availability of D444-0496, 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 D444-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D444-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D444-0496
  • 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 D444-0496 available by request