8009-2527 Screening compound: N-benzyl-2-[(Z)-({4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

8009-2527 Screening compound: N-benzyl-2-[(Z)-({4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
8009-2527 Screening compound: N-benzyl-2-[(Z)-({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 8009-2527
N-benzyl-2-[(Z)-({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

8009-2527

Molecular Formula

C34H30N2O2S (C34 H30 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c(/N=C\c(cc2)ccc2OCc2cccc3ccccc23)sc2c1CCCC2)NCc1ccccc1

InChI

InChI=1S/C34H30N2O2S/c37-33(35-21-24-9-2-1-3-10-24)32-30-15-6-7-16-31(30)39-34(32)36-22-25-17-19-28(20-18-25)38-23-27-13-8-12-26-11-4-5-14-29(26)27/h1-5,8-14,17-20,22H,6-7,15-16,21,23H2,(H,35,37)

InChI Key

IMTPAYUWXVHJNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.433

Distribution Coefficient, logD

7.433

Water Solubility, LogSw

-7.05

Polar Surface Area

39.450

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8009-2527 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8009-2527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2527?
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What is the minimum amount of 8009-2527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2527
  • 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 8009-2527 available by request