8008-0598 Screening compound: 5-ethyl-4-nitrothiophene-2-carbaldehyde

8008-0598 Screening compound: 5-ethyl-4-nitrothiophene-2-carbaldehyde
8008-0598 Screening compound: 5-ethyl-4-nitrothiophene-2-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-0598
5-ethyl-4-nitrothiophene-2-carbaldehyde

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

8008-0598

Molecular Formula

C7H7NO3S (C7 H7 NO3 S)

Compound Name

5-ethyl-4-nitrothiophene-2-carbaldehyde

IUPAC name

5-ethyl-4-nitrothiophene-2-carbaldehyde

SMILES

CCc(sc(C=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C7H7NO3S/c1-2-7-6(8(10)11)3-5(4-9)12-7/h3-4H,2H2,1H3

InChI Key

TVCPFYFGGAODIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01118657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

185.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.201

Distribution Coefficient, logD

2.201

Water Solubility, LogSw

-2.18

Polar Surface Area

48.497

Acid Dissociation Constant (pKa)

29.62

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8008-0598 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8008-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-0598?
Check Price and Availability of 8008-0598, 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 8008-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-0598
  • 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 8008-0598 available by request