1000-0129 Screening compound: 1-benzoyl-3-(pyridin-2-yl)thiourea

1000-0129 Screening compound: 1-benzoyl-3-(pyridin-2-yl)thiourea
1000-0129 Screening compound: 1-benzoyl-3-(pyridin-2-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1000-0129
1-benzoyl-3-(pyridin-2-yl)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

1000-0129

Molecular Formula

C13H11N3OS (C13 H11 N3 OS)

Compound Name

1-benzoyl-3-(pyridin-2-yl)thiourea

IUPAC name

1-benzoyl-3-(pyridin-2-yl)thiourea

SMILES

O=C(c1ccccc1)NC(Nc1ncccc1)=S

InChI

InChI=1S/C13H11N3OS/c17-12(10-6-2-1-3-7-10)16-13(18)15-11-8-4-5-9-14-11/h1-9H,(H2,14,15,16,17,18)

InChI Key

PNBLAGJAUXZQTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00060529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.721

Distribution Coefficient, logD

2.719

Water Solubility, LogSw

-3.33

Polar Surface Area

42.855

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1000-0129 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 1000-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1000-0129?
Check Price and Availability of 1000-0129, 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 1000-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1000-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1000-0129
  • 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 1000-0129 available by request