0086-0048 Screening compound: N-phenylpyridine-2-carbothioamide

0086-0048 Screening compound: N-phenylpyridine-2-carbothioamide
0086-0048 Screening compound: N-phenylpyridine-2-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0086-0048
N-phenylpyridine-2-carbothioamide

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

0086-0048

Molecular Formula

C12H10N2S (C12 H10 N2 S)

Compound Name

N-phenylpyridine-2-carbothioamide

IUPAC name

N-phenylpyridine-2-carbothioamide

SMILES

S=C(c1ncccc1)Nc1ccccc1

InChI

InChI=1S/C12H10N2S/c15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10/h1-9H,(H,14,15)

InChI Key

HOMILEBHBIPJEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00168241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

214.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.666

Distribution Coefficient, logD

2.665

Water Solubility, LogSw

-2.90

Polar Surface Area

18.768

Acid Dissociation Constant (pKa)

10.77

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0086-0048 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 0086-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0086-0048?
Check Price and Availability of 0086-0048, 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 0086-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0086-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0086-0048
  • 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 0086-0048 available by request