G194-0095 Screening compound: 3-{[2-(1-CYCLOHEXENYL)ETHYL]AMINO}-1-(3-FLUOROPHENYL)-2(1H)-PYRAZINONE

G194-0095 Screening compound: 3-{[2-(1-CYCLOHEXENYL)ETHYL]AMINO}-1-(3-FLUOROPHENYL)-2(1H)-PYRAZINONE
G194-0095 Screening compound: 3-{[2-(1-CYCLOHEXENYL)ETHYL]AMINO}-1-(3-FLUOROPHENYL)-2(1H)-PYRAZINONE alternative view

Chemical Structure Depiction of ChemDiv screening compound G194-0095
3-{[2-(1-CYCLOHEXENYL)ETHYL]AMINO}-1-(3-FLUOROPHENYL)-2(1H)-PYRAZINONE

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

G194-0095

Molecular Formula

C18H20FN3O (C18 H20 FN3 O)

Compound Name

3-{[2-(1-CYCLOHEXENYL)ETHYL]AMINO}-1-(3-FLUOROPHENYL)-2(1H)-PYRAZINONE

IUPAC name

3-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-1-(3-fluorophenyl)-12-dihydropyrazin-2-one

SMILES

O=C(C(NCCC1=CCCCC1)=NC=C1)N1c1cccc(F)c1

InChI

InChI=1S/C18H20FN3O/c19-15-7-4-8-16(13-15)22-12-11-21-17(18(22)23)20-10-9-14-5-2-1-3-6-14/h4-5,7-8,11-13H,1-3,6,9-10H2,(H,20,21)

InChI Key

GRYLQAZNJBRBMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14983522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.288

Distribution Coefficient, logD

2.288

Water Solubility, LogSw

-2.81

Polar Surface Area

35.335

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

G194-0095 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with G194-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G194-0095?
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What is the minimum amount of G194-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G194-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G194-0095
  • 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 G194-0095 available by request