8009-4661 Screening compound: N-benzyl-2-[(Z)-({3-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

8009-4661 Screening compound: N-benzyl-2-[(Z)-({3-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
8009-4661 Screening compound: N-benzyl-2-[(Z)-({3-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4661
N-benzyl-2-[(Z)-({3-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-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

8009-4661

Molecular Formula

C35H32N2O3S (C35 H32 N2 O3 S)

Compound Name

N-benzyl-2-[(Z)-({3-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-benzyl-2-[(Z)-({3-methoxy-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)amino]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

COc(cc(/C=N\c1c(C(NCc2ccccc2)=O)c(CCCC2)c2s1)cc1)c1OCc1cccc2ccccc12

InChI

InChI=1S/C35H32N2O3S/c1-39-31-20-25(18-19-30(31)40-23-27-14-9-13-26-12-5-6-15-28(26)27)22-37-35-33(29-16-7-8-17-32(29)41-35)34(38)36-21-24-10-3-2-4-11-24/h2-6,9-15,18-20,22H,7-8,16-17,21,23H2,1H3,(H,36,38)

InChI Key

JCQXJOUBRXQCIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01821466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.326

Distribution Coefficient, logD

7.325

Water Solubility, LogSw

-6.76

Polar Surface Area

47.167

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8009-4661 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8009-4661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4661?
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What is the minimum amount of 8009-4661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4661
  • 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 8009-4661 available by request