1655-0056 Screening compound: N,2-diphenylpyrazolidine-1-carbothioamide

1655-0056 Screening compound: N,2-diphenylpyrazolidine-1-carbothioamide
1655-0056 Screening compound: N,2-diphenylpyrazolidine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1655-0056
N,2-diphenylpyrazolidine-1-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

1655-0056

Molecular Formula

C16H17N3S (C16 H17 N3 S)

Compound Name

N,2-diphenylpyrazolidine-1-carbothioamide

IUPAC name

N2-diphenylpyrazolidine-1-carbothioamide

SMILES

S=C(Nc1ccccc1)N(CCC1)N1c1ccccc1

InChI

InChI=1S/C16H17N3S/c20-16(17-14-8-3-1-4-9-14)19-13-7-12-18(19)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2,(H,17,20)

InChI Key

NGWSZQWDCWRZGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00429308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.512

Distribution Coefficient, logD

3.512

Water Solubility, LogSw

-3.71

Polar Surface Area

17.129

Acid Dissociation Constant (pKa)

13.53

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

1655-0056 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1655-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1655-0056?
Check Price and Availability of 1655-0056, 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 1655-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1655-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1655-0056
  • 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 1655-0056 available by request