8005-2840 Screening compound: 1-[(4-ethoxyphenyl)methyl]-3-[(E)-[(4-nitrophenyl)methylidene]amino]thiourea

8005-2840 Screening compound: 1-[(4-ethoxyphenyl)methyl]-3-[(E)-[(4-nitrophenyl)methylidene]amino]thiourea
8005-2840 Screening compound: 1-[(4-ethoxyphenyl)methyl]-3-[(E)-[(4-nitrophenyl)methylidene]amino]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2840
1-[(4-ethoxyphenyl)methyl]-3-[(E)-[(4-nitrophenyl)methylidene]amino]thiourea

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

8005-2840

Molecular Formula

C17H18N4O3S (C17 H18 N4 O3 S)

Compound Name

1-[(4-ethoxyphenyl)methyl]-3-[(E)-[(4-nitrophenyl)methylidene]amino]thiourea

IUPAC name

1-[(4-ethoxyphenyl)methyl]-3-[(E)-[(4-nitrophenyl)methylidene]amino]thiourea

SMILES

CCOc1ccc(CNC(N/N=C/c(cc2)ccc2[N+]([O-])=O)=S)cc1

InChI

InChI=1S/C17H18N4O3S/c1-2-24-16-9-5-13(6-10-16)11-18-17(25)20-19-12-14-3-7-15(8-4-14)21(22)23/h3-10,12H,2,11H2,1H3,(H2,18,20,25)

InChI Key

WXSHPHXNOQKEAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00571234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.665

Distribution Coefficient, logD

3.665

Water Solubility, LogSw

-3.80

Polar Surface Area

73.113

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8005-2840 in Drug Discovery

Included in Screening Libraries

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 8005-2840 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2840?
Check Price and Availability of 8005-2840, 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 8005-2840 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2840
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2840
  • 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 8005-2840 available by request