0657-0241 Screening compound: [(Z)-{1-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]ethylidene}amino]thiourea

0657-0241 Screening compound: [(Z)-{1-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]ethylidene}amino]thiourea
0657-0241 Screening compound: [(Z)-{1-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]ethylidene}amino]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 0657-0241
[(Z)-{1-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]ethylidene}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

0657-0241

Molecular Formula

C16H20N4O2S (C16 H20 N4 O2 S)

Compound Name

[(Z)-{1-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]ethylidene}amino]thiourea

IUPAC name

[(Z)-{1-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]ethylidene}amino]thiourea

SMILES

CCN(CC)c(cc1)cc(O2)c1C=C(/C(/C)=N\NC(N)=S)C2=O

InChI

InChI=1S/C16H20N4O2S/c1-4-20(5-2)12-7-6-11-8-13(10(3)18-19-16(17)23)15(21)22-14(11)9-12/h6-9H,4-5H2,1-3H3,(H3,17,19,23)

InChI Key

DRGHWLNJVCQNKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00723735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.757

Distribution Coefficient, logD

2.757

Water Solubility, LogSw

-3.29

Polar Surface Area

64.992

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

7.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

0657-0241 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0657-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0657-0241?
Check Price and Availability of 0657-0241, 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 0657-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0657-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0657-0241
  • 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 0657-0241 available by request