P866-0234 Screening compound: N~1~-(2,4-difluorophenyl)-4-[3-(4-pyridyl)-1H-pyrazol-5-yl]tetrahydro-1(2H)-pyrazinecarboxamide

P866-0234 Screening compound: N~1~-(2,4-difluorophenyl)-4-[3-(4-pyridyl)-1H-pyrazol-5-yl]tetrahydro-1(2H)-pyrazinecarboxamide
P866-0234 Screening compound: N~1~-(2,4-difluorophenyl)-4-[3-(4-pyridyl)-1H-pyrazol-5-yl]tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P866-0234
N~1~-(2,4-difluorophenyl)-4-[3-(4-pyridyl)-1H-pyrazol-5-yl]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

P866-0234

Molecular Formula

C19H18F2N6O (C19 H18 F2 N6 O)

Compound Name

N~1~-(2,4-difluorophenyl)-4-[3-(4-pyridyl)-1H-pyrazol-5-yl]tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

N-(24-difluorophenyl)-4-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperazine-1-carboxamide

SMILES

O=C(Nc(ccc(F)c1)c1F)N(CC1)CCN1c1cc(-c2ccncc2)n[nH]1

InChI

InChI=1S/C19H18F2N6O/c20-14-1-2-16(15(21)11-14)23-19(28)27-9-7-26(8-10-27)18-12-17(24-25-18)13-3-5-22-6-4-13/h1-6,11-12H,7-10H2,(H,23,28)(H,24,25)

InChI Key

VLNRBMPDZSFMCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27615776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.798

Distribution Coefficient, logD

2.797

Water Solubility, LogSw

-3.07

Polar Surface Area

59.652

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

4.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

P866-0234 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 P866-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P866-0234?
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What is the minimum amount of P866-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P866-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P866-0234
  • 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 P866-0234 available by request