G298-0380 Screening compound: 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-7-(3,5-dimethylphenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

G298-0380 Screening compound: 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-7-(3,5-dimethylphenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
G298-0380 Screening compound: 3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-7-(3,5-dimethylphenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G298-0380
3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-7-(3,5-dimethylphenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-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

G298-0380

Molecular Formula

C27H30N6O2 (C27 H30 N6 O2)

Compound Name

3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-7-(3,5-dimethylphenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

IUPAC name

3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-7-(35-dimethylphenyl)-7H8H-[124]triazolo[43-a]pyrazin-8-one

SMILES

Cc1cc(N(C=Cn2c3nnc2CCC(N2CCN(Cc4ccccc4)CC2)=O)C3=O)cc(C)c1

InChI

InChI=1S/C27H30N6O2/c1-20-16-21(2)18-23(17-20)32-14-15-33-24(28-29-26(33)27(32)35)8-9-25(34)31-12-10-30(11-13-31)19-22-6-4-3-5-7-22/h3-7,14-18H,8-13,19H2,1-2H3

InChI Key

ALFBJBQZHKMLKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14995900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.724

Distribution Coefficient, logD

1.691

Water Solubility, LogSw

-2.03

Polar Surface Area

59.029

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G298-0380 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G298-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G298-0380?
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What is the minimum amount of G298-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G298-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G298-0380
  • 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 G298-0380 available by request