0848-0155 Screening compound: 2-{[(E)-1-(2-hydroxy-1-naphthyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide

0848-0155 Screening compound: 2-{[(E)-1-(2-hydroxy-1-naphthyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide
0848-0155 Screening compound: 2-{[(E)-1-(2-hydroxy-1-naphthyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0848-0155
2-{[(E)-1-(2-hydroxy-1-naphthyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide

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

0848-0155

Molecular Formula

C20H16N2OS (C20 H16 N2 OS)

Compound Name

2-{[(E)-1-(2-hydroxy-1-naphthyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl cyanide

IUPAC name

2-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-4567-tetrahydro-1-benzothiophene-3-carbonitrile

SMILES

N#Cc1c(/N=C/c(c2ccccc2cc2)c2O)sc2c1CCCC2

InChI

InChI=1S/C20H16N2OS/c21-11-16-15-7-3-4-8-19(15)24-20(16)22-12-17-14-6-2-1-5-13(14)9-10-18(17)23/h1-2,5-6,9-10,12,23H,3-4,7-8H2

InChI Key

PGNHOGXLZUATQT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.069

Distribution Coefficient, logD

5.062

Water Solubility, LogSw

-5.57

Polar Surface Area

41.414

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 0848-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0848-0155?
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What is the minimum amount of 0848-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0848-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0848-0155
  • 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 0848-0155 available by request