D012-0137 Screening compound: N-phenyl-4-[5-(trifluoromethyl)-2-pyridyl]tetrahydro-1(2H)-pyrazinecarboxamide

D012-0137 Screening compound: N-phenyl-4-[5-(trifluoromethyl)-2-pyridyl]tetrahydro-1(2H)-pyrazinecarboxamide
D012-0137 Screening compound: N-phenyl-4-[5-(trifluoromethyl)-2-pyridyl]tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D012-0137
N-phenyl-4-[5-(trifluoromethyl)-2-pyridyl]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

D012-0137

Molecular Formula

C17H17F3N4O (C17 H17 F3 N4 O)

Compound Name

N-phenyl-4-[5-(trifluoromethyl)-2-pyridyl]tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

N-phenyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

SMILES

O=C(Nc1ccccc1)N(CC1)CCN1c1ncc(C(F)(F)F)cc1

InChI

InChI=1S/C17H17F3N4O/c18-17(19,20)13-6-7-15(21-12-13)23-8-10-24(11-9-23)16(25)22-14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,22,25)

InChI Key

CBKICCVIIMRDCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12302365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.451

Distribution Coefficient, logD

3.451

Water Solubility, LogSw

-3.41

Polar Surface Area

37.569

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

D012-0137 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with D012-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D012-0137?
Check Price and Availability of D012-0137, 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 D012-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D012-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D012-0137
  • 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 D012-0137 available by request