8008-6256 Screening compound: ethyl 2-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

8008-6256 Screening compound: ethyl 2-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
8008-6256 Screening compound: ethyl 2-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6256
ethyl 2-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

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

8008-6256

Molecular Formula

C21H19NO3S (C21 H19 NO3 S)

Compound Name

ethyl 2-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(/N=C/c(c2ccccc2cc2)c2O)sc2c1CCC2)=O

InChI

InChI=1S/C21H19NO3S/c1-2-25-21(24)19-15-8-5-9-18(15)26-20(19)22-12-16-14-7-4-3-6-13(14)10-11-17(16)23/h3-4,6-7,10-12,23H,2,5,8-9H2,1H3

InChI Key

RNFBNMPEQHRFBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01119560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.121

Distribution Coefficient, logD

5.114

Water Solubility, LogSw

-5.75

Polar Surface Area

45.477

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

-3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

8008-6256 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8008-6256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6256?
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What is the minimum amount of 8008-6256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6256
  • 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 8008-6256 available by request