D444-0206 Screening compound: N-{3-[(3-fluorophenyl)[(4-methylpyridin-2-yl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide

D444-0206 Screening compound: N-{3-[(3-fluorophenyl)[(4-methylpyridin-2-yl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide
D444-0206 Screening compound: N-{3-[(3-fluorophenyl)[(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 D444-0206
N-{3-[(3-fluorophenyl)[(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

D444-0206

Molecular Formula

C26H24FN3O2S (C26 H24 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(NC(c2c(NC(c3ccco3)=O)sc3c2CCCC3)c2cc(F)ccc2)ncc1

InChI

InChI=1S/C26H24FN3O2S/c1-16-11-12-28-22(14-16)29-24(17-6-4-7-18(27)15-17)23-19-8-2-3-10-21(19)33-26(23)30-25(31)20-9-5-13-32-20/h4-7,9,11-15,24H,2-3,8,10H2,1H3,(H,28,29)(H,30,31)/t24-/m1/s1

InChI Key

PAXUZZAOBWBFOD-XMMPIXPASA-N

MDL Number (MFCD)

MFCD27586428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.940

Distribution Coefficient, logD

5.269

Water Solubility, LogSw

-5.35

Polar Surface Area

50.553

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

7.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with D444-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D444-0206?
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What is the minimum amount of D444-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D444-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D444-0206
  • 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 D444-0206 available by request