Y501-2052 Screening compound: N-cyclohexyl-4-phenyltetrahydro-1(2H)-pyrazinecarbothioamide

Y501-2052 Screening compound: N-cyclohexyl-4-phenyltetrahydro-1(2H)-pyrazinecarbothioamide
Y501-2052 Screening compound: N-cyclohexyl-4-phenyltetrahydro-1(2H)-pyrazinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y501-2052
N-cyclohexyl-4-phenyltetrahydro-1(2H)-pyrazinecarbothioamide

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

Y501-2052

Molecular Formula

C17H25N3S (C17 H25 N3 S)

Compound Name

N-cyclohexyl-4-phenyltetrahydro-1(2H)-pyrazinecarbothioamide

IUPAC name

N-cyclohexyl-4-phenylpiperazine-1-carbothioamide

SMILES

S=C(NC1CCCCC1)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C17H25N3S/c21-17(18-15-7-3-1-4-8-15)20-13-11-19(12-14-20)16-9-5-2-6-10-16/h2,5-6,9-10,15H,1,3-4,7-8,11-14H2,(H,18,21)

InChI Key

PNJFXAIFLOBZET-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.47

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

4.026

Distribution Coefficient, logD

4.019

Water Solubility, LogSw

-4.07

Polar Surface Area

15.444

Acid Dissociation Constant (pKa)

18.03

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.82

Y501-2052 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y501-2052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-2052?
Check Price and Availability of Y501-2052, 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 Y501-2052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-2052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-2052
  • 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 Y501-2052 available by request