0570-0026 Screening compound: 4-(diethylamino)-3-nitro-2H-thiochromen-2-one

0570-0026 Screening compound: 4-(diethylamino)-3-nitro-2H-thiochromen-2-one
0570-0026 Screening compound: 4-(diethylamino)-3-nitro-2H-thiochromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0570-0026
4-(diethylamino)-3-nitro-2H-thiochromen-2-one

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

0570-0026

Molecular Formula

C13H14N2O3S (C13 H14 N2 O3 S)

Compound Name

4-(diethylamino)-3-nitro-2H-thiochromen-2-one

IUPAC name

4-(diethylamino)-3-nitro-2H-thiochromen-2-one

SMILES

CCN(CC)C(c(cccc1)c1SC1=O)=C1[N+]([O-])=O

InChI

InChI=1S/C13H14N2O3S/c1-3-14(4-2)11-9-7-5-6-8-10(9)19-13(16)12(11)15(17)18/h5-8H,3-4H2,1-2H3

InChI Key

ITMVIGBXFFFSLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.109

Distribution Coefficient, logD

3.109

Water Solubility, LogSw

-3.52

Polar Surface Area

49.186

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

0570-0026 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0570-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0570-0026?
Check Price and Availability of 0570-0026, 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 0570-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0570-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0570-0026
  • 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 0570-0026 available by request