D411-0577 Screening compound: N-{3-[(4-methylpiperazin-1-yl)[4-(propan-2-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide

D411-0577 Screening compound: N-{3-[(4-methylpiperazin-1-yl)[4-(propan-2-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide
D411-0577 Screening compound: N-{3-[(4-methylpiperazin-1-yl)[4-(propan-2-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D411-0577
N-{3-[(4-methylpiperazin-1-yl)[4-(propan-2-yl)phenyl]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

D411-0577

Molecular Formula

C28H35N3O2S (C28 H35 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1ccc(C(c2c(NC(c3ccco3)=O)sc3c2CCCC3)N2CCN(C)CC2)cc1

InChI

InChI=1S/C28H35N3O2S/c1-19(2)20-10-12-21(13-11-20)26(31-16-14-30(3)15-17-31)25-22-7-4-5-9-24(22)34-28(25)29-27(32)23-8-6-18-33-23/h6,8,10-13,18-19,26H,4-5,7,9,14-17H2,1-3H3,(H,29,32)/t26-/m1/s1

InChI Key

XWCGCZMIOHKZHN-AREMUKBSSA-N

MDL Number (MFCD)

MFCD09540398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.67

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

5.879

Distribution Coefficient, logD

4.006

Water Solubility, LogSw

-5.34

Polar Surface Area

37.853

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

9.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

D411-0577 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

DGK Inhibitors Library (10558 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with D411-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D411-0577?
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What is the minimum amount of D411-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D411-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D411-0577
  • 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 D411-0577 available by request