G195-0219 Screening compound: N-cyclopentyl-2-{[4-(3-fluorophenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}acetamide

G195-0219 Screening compound: N-cyclopentyl-2-{[4-(3-fluorophenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}acetamide
G195-0219 Screening compound: N-cyclopentyl-2-{[4-(3-fluorophenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G195-0219
N-cyclopentyl-2-{[4-(3-fluorophenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}acetamide

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

G195-0219

Molecular Formula

C17H18FN3O2S (C17 H18 FN3 O2 S)

Compound Name

N-cyclopentyl-2-{[4-(3-fluorophenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}acetamide

IUPAC name

N-cyclopentyl-2-{[4-(3-fluorophenyl)-3-oxo-34-dihydropyrazin-2-yl]sulfanyl}acetamide

SMILES

O=C(CSC1=NC=CN(c2cc(F)ccc2)C1=O)NC1CCCC1

InChI

InChI=1S/C17H18FN3O2S/c18-12-4-3-7-14(10-12)21-9-8-19-16(17(21)23)24-11-15(22)20-13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6,11H2,(H,20,22)

InChI Key

SGWSPAYCCJPDOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14983941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.644

Distribution Coefficient, logD

1.644

Water Solubility, LogSw

-2.40

Polar Surface Area

48.206

Acid Dissociation Constant (pKa)

16.58

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

G195-0219 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G195-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G195-0219?
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What is the minimum amount of G195-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G195-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G195-0219
  • 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 G195-0219 available by request