0870-0855 Screening compound: [(2E)-3-phenylprop-2-enoyl]thiourea

0870-0855 Screening compound: [(2E)-3-phenylprop-2-enoyl]thiourea
0870-0855 Screening compound: [(2E)-3-phenylprop-2-enoyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 0870-0855
[(2E)-3-phenylprop-2-enoyl]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

0870-0855

Molecular Formula

C10H10N2OS (C10 H10 N2 OS)

Compound Name

[(2E)-3-phenylprop-2-enoyl]thiourea

IUPAC name

[(2E)-3-phenylprop-2-enoyl]thiourea

SMILES

NC(NC(/C=C/c1ccccc1)=O)=S

InChI

InChI=1S/C10H10N2OS/c11-10(14)12-9(13)7-6-8-4-2-1-3-5-8/h1-7H,(H3,11,12,13,14)

InChI Key

XWFDAVCQMMQZAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01069203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

206.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.479

Distribution Coefficient, logD

1.479

Water Solubility, LogSw

-1.97

Polar Surface Area

43.787

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0870-0855 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0870-0855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0870-0855?
Check Price and Availability of 0870-0855, 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 0870-0855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0870-0855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0870-0855
  • 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 0870-0855 available by request