D444-0251 Screening compound: N-{3-[(2H-1,3-benzodioxol-5-yl)[(4-methylpyridin-2-yl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide

D444-0251 Screening compound: N-{3-[(2H-1,3-benzodioxol-5-yl)[(4-methylpyridin-2-yl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide
D444-0251 Screening compound: N-{3-[(2H-1,3-benzodioxol-5-yl)[(4-methylpyridin-2-yl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D444-0251
N-{3-[(2H-1,3-benzodioxol-5-yl)[(4-methylpyridin-2-yl)amino]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

D444-0251

Molecular Formula

C27H25N3O4S (C27 H25 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(NC(c2c(NC(c3ccco3)=O)sc3c2CCCC3)c(cc2)cc3c2OCO3)ncc1

InChI

InChI=1S/C27H25N3O4S/c1-16-10-11-28-23(13-16)29-25(17-8-9-19-21(14-17)34-15-33-19)24-18-5-2-3-7-22(18)35-27(24)30-26(31)20-6-4-12-32-20/h4,6,8-14,25H,2-3,5,7,15H2,1H3,(H,28,29)(H,30,31)/t25-/m1/s1

InChI Key

XNJLQNMMSYQXBV-RUZDIDTESA-N

MDL Number (MFCD)

MFCD27586455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.815

Distribution Coefficient, logD

5.144

Water Solubility, LogSw

-5.34

Polar Surface Area

67.668

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

7.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

D444-0251 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 D444-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D444-0251?
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What is the minimum amount of D444-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D444-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D444-0251
  • 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 D444-0251 available by request