8004-0628 Screening compound: 2-[(E)-[(3-nitrophenyl)methylidene]amino]-4H,5H,6H-cyclopenta[b]thiophene-3-carbonitrile

8004-0628 Screening compound: 2-[(E)-[(3-nitrophenyl)methylidene]amino]-4H,5H,6H-cyclopenta[b]thiophene-3-carbonitrile
8004-0628 Screening compound: 2-[(E)-[(3-nitrophenyl)methylidene]amino]-4H,5H,6H-cyclopenta[b]thiophene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-0628
2-[(E)-[(3-nitrophenyl)methylidene]amino]-4H,5H,6H-cyclopenta[b]thiophene-3-carbonitrile

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

8004-0628

Molecular Formula

C15H11N3O2S (C15 H11 N3 O2 S)

Compound Name

2-[(E)-[(3-nitrophenyl)methylidene]amino]-4H,5H,6H-cyclopenta[b]thiophene-3-carbonitrile

IUPAC name

2-[(E)-[(3-nitrophenyl)methylidene]amino]-4H5H6H-cyclopenta[b]thiophene-3-carbonitrile

SMILES

N#Cc1c(/N=C/c2cc([N+]([O-])=O)ccc2)sc2c1CCC2

InChI

InChI=1S/C15H11N3O2S/c16-8-13-12-5-2-6-14(12)21-15(13)17-9-10-3-1-4-11(7-10)18(19)20/h1,3-4,7,9H,2,5-6H2

InChI Key

FQHLNFSWCKZTHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00657298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.661

Distribution Coefficient, logD

3.661

Water Solubility, LogSw

-4.30

Polar Surface Area

58.885

Acid Dissociation Constant (pKa)

21.63

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8004-0628 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8004-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-0628?
Check Price and Availability of 8004-0628, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8004-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-0628
  • 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 8004-0628 available by request