D444-0229 Screening compound: N-(3-{[4-(methylsulfanyl)phenyl][(pyridin-2-yl)amino]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide

D444-0229 Screening compound: N-(3-{[4-(methylsulfanyl)phenyl][(pyridin-2-yl)amino]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
D444-0229 Screening compound: N-(3-{[4-(methylsulfanyl)phenyl][(pyridin-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 D444-0229
N-(3-{[4-(methylsulfanyl)phenyl][(pyridin-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

D444-0229

Molecular Formula

C26H25N3O2S2 (C26 H25 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CSc1ccc(C(c2c(NC(c3ccco3)=O)sc3c2CCCC3)Nc2ncccc2)cc1

InChI

InChI=1S/C26H25N3O2S2/c1-32-18-13-11-17(12-14-18)24(28-22-10-4-5-15-27-22)23-19-7-2-3-9-21(19)33-26(23)29-25(30)20-8-6-16-31-20/h4-6,8,10-16,24H,2-3,7,9H2,1H3,(H,27,28)(H,29,30)/t24-/m1/s1

InChI Key

RFCCIQRWSULTMU-XMMPIXPASA-N

MDL Number (MFCD)

MFCD27586445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.157

Distribution Coefficient, logD

6.027

Water Solubility, LogSw

-5.49

Polar Surface Area

50.553

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

6.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with D444-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D444-0229?
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What is the minimum amount of D444-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D444-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D444-0229
  • 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 D444-0229 available by request