Y205-8749 Screening compound: 4-(methylsulfonyl)-N~1~-[3-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide

Y205-8749 Screening compound: 4-(methylsulfonyl)-N~1~-[3-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide
Y205-8749 Screening compound: 4-(methylsulfonyl)-N~1~-[3-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-8749
4-(methylsulfonyl)-N~1~-[3-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide

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

Y205-8749

Molecular Formula

C13H16F3N3O3S (C13 H16 F3 N3 O3 S)

Compound Name

4-(methylsulfonyl)-N~1~-[3-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

4-methanesulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

SMILES

CS(N(CC1)CCN1C(Nc1cc(C(F)(F)F)ccc1)=O)(=O)=O

InChI

InChI=1S/C13H16F3N3O3S/c1-23(21,22)19-7-5-18(6-8-19)12(20)17-11-4-2-3-10(9-11)13(14,15)16/h2-4,9H,5-8H2,1H3,(H,17,20)

InChI Key

ZTCHTTPGDYBFIW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.883

Distribution Coefficient, logD

1.883

Water Solubility, LogSw

-2.82

Polar Surface Area

56.990

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

Y205-8749 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 Y205-8749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-8749?
Check Price and Availability of Y205-8749, 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 Y205-8749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-8749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-8749
  • 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 Y205-8749 available by request