G695-0119 Screening compound: ethyl 3-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1H-pyrazole-5-carboxylate

G695-0119 Screening compound: ethyl 3-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1H-pyrazole-5-carboxylate
G695-0119 Screening compound: ethyl 3-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1H-pyrazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G695-0119
ethyl 3-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1H-pyrazole-5-carboxylate

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

G695-0119

Molecular Formula

C17H22N4O5S (C17 H22 N4 O5 S)

Compound Name

ethyl 3-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1H-pyrazole-5-carboxylate

IUPAC name

ethyl 3-{[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl}-1H-pyrazole-5-carboxylate

SMILES

CCOC(c1cc(S(N(CC2)CCN2c2cc(OC)ccc2)(=O)=O)n[nH]1)=O

InChI

InChI=1S/C17H22N4O5S/c1-3-26-17(22)15-12-16(19-18-15)27(23,24)21-9-7-20(8-10-21)13-5-4-6-14(11-13)25-2/h4-6,11-12H,3,7-10H2,1-2H3,(H,18,19)

InChI Key

AKPFBSRUTOIFJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15029224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.321

Distribution Coefficient, logD

2.312

Water Solubility, LogSw

-2.92

Polar Surface Area

86.043

Acid Dissociation Constant (pKa)

9.08

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

G695-0119 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

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

CNS MPO Library (28609 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with G695-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G695-0119?
Check Price and Availability of G695-0119, 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 G695-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G695-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G695-0119
  • 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 G695-0119 available by request