G194-0781 Screening compound: 3-(benzylamino)-1-[(4-chlorophenyl)methyl]-1,2-dihydropyrazin-2-one

G194-0781 Screening compound: 3-(benzylamino)-1-[(4-chlorophenyl)methyl]-1,2-dihydropyrazin-2-one
G194-0781 Screening compound: 3-(benzylamino)-1-[(4-chlorophenyl)methyl]-1,2-dihydropyrazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G194-0781
3-(benzylamino)-1-[(4-chlorophenyl)methyl]-1,2-dihydropyrazin-2-one

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

G194-0781

Molecular Formula

C18H16ClN3O (C18 H16 ClN3 O)

Compound Name

3-(benzylamino)-1-[(4-chlorophenyl)methyl]-1,2-dihydropyrazin-2-one

IUPAC name

3-(benzylamino)-1-[(4-chlorophenyl)methyl]-12-dihydropyrazin-2-one

SMILES

O=C1N(Cc(cc2)ccc2Cl)C=CN=C1NCc1ccccc1

InChI

InChI=1S/C18H16ClN3O/c19-16-8-6-15(7-9-16)13-22-11-10-20-17(18(22)23)21-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,20,21)

InChI Key

JTYYEGLMJLBXAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09248684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.8

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

2.184

Distribution Coefficient, logD

2.182

Water Solubility, LogSw

-3.03

Polar Surface Area

35.747

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

G194-0781 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 G194-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G194-0781?
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What is the minimum amount of G194-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G194-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G194-0781
  • 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 G194-0781 available by request