Y044-1714 Screening compound: {4-[(4-fluorophenyl)sulfonyl]piperazino}[1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone

Y044-1714 Screening compound: {4-[(4-fluorophenyl)sulfonyl]piperazino}[1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone
Y044-1714 Screening compound: {4-[(4-fluorophenyl)sulfonyl]piperazino}[1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-1714
{4-[(4-fluorophenyl)sulfonyl]piperazino}[1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone

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

Y044-1714

Molecular Formula

C19H20FN5O3S (C19 H20 FN5 O3 S)

Compound Name

{4-[(4-fluorophenyl)sulfonyl]piperazino}[1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methanone

IUPAC name

1-(4-fluorobenzenesulfonyl)-4-[1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperazine

SMILES

Cn1ncc(C(N(CC2)CCN2S(c(cc2)ccc2F)(=O)=O)=O)c1-n1cccc1

InChI

InChI=1S/C19H20FN5O3S/c1-22-18(23-8-2-3-9-23)17(14-21-22)19(26)24-10-12-25(13-11-24)29(27,28)16-6-4-15(20)5-7-16/h2-9,14H,10-13H2,1H3

InChI Key

UDCWVIQBQCPIEV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.951

Distribution Coefficient, logD

1.951

Water Solubility, LogSw

-2.55

Polar Surface Area

65.684

Acid Dissociation Constant (pKa)

27.82

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

Y044-1714 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 Y044-1714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-1714?
Check Price and Availability of Y044-1714, 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 Y044-1714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-1714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-1714
  • 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 Y044-1714 available by request