G695-0123 Screening compound: ethyl 3-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-1H-pyrazole-5-carboxylate

G695-0123 Screening compound: ethyl 3-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-1H-pyrazole-5-carboxylate
G695-0123 Screening compound: ethyl 3-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-1H-pyrazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G695-0123
ethyl 3-{[4-(pyrimidin-2-yl)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

G695-0123

Molecular Formula

C14H18N6O4S (C14 H18 N6 O4 S)

Compound Name

ethyl 3-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-1H-pyrazole-5-carboxylate

IUPAC name

ethyl 3-{[4-(pyrimidin-2-yl)piperazin-1-yl]sulfonyl}-1H-pyrazole-5-carboxylate

SMILES

CCOC(c1cc(S(N(CC2)CCN2c2ncccn2)(=O)=O)n[nH]1)=O

InChI

InChI=1S/C14H18N6O4S/c1-2-24-13(21)11-10-12(18-17-11)25(22,23)20-8-6-19(7-9-20)14-15-4-3-5-16-14/h3-5,10H,2,6-9H2,1H3,(H,17,18)

InChI Key

FHGVATVLQJUMFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15029228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.378

Distribution Coefficient, logD

1.369

Water Solubility, LogSw

-2.45

Polar Surface Area

96.862

Acid Dissociation Constant (pKa)

9.08

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

G695-0123 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

CNS MPO Library (28609 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G695-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G695-0123?
Check Price and Availability of G695-0123, 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 G695-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G695-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G695-0123
  • 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 G695-0123 available by request