G423-0438 Screening compound: 3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-7-(4-ethoxyphenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

G423-0438 Screening compound: 3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-7-(4-ethoxyphenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
G423-0438 Screening compound: 3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-7-(4-ethoxyphenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G423-0438
3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-7-(4-ethoxyphenyl)-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

G423-0438

Molecular Formula

C29H33N5O3 (C29 H33 N5 O3)

Compound Name

3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-7-(4-ethoxyphenyl)-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

IUPAC name

3-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-7-(4-ethoxyphenyl)-7H8H-[124]triazolo[43-a]pyrazin-8-one

SMILES

CCOc(cc1)ccc1N(C=Cn1c2nnc1CCCC(N1CCC(Cc3ccccc3)CC1)=O)C2=O

InChI

InChI=1S/C29H33N5O3/c1-2-37-25-13-11-24(12-14-25)33-19-20-34-26(30-31-28(34)29(33)36)9-6-10-27(35)32-17-15-23(16-18-32)21-22-7-4-3-5-8-22/h3-5,7-8,11-14,19-20,23H,2,6,9-10,15-18,21H2,1H3

InChI Key

GLNLDUNESNXWBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27140603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.954

Distribution Coefficient, logD

2.954

Water Solubility, LogSw

-3.28

Polar Surface Area

62.341

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

-4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

G423-0438 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 G423-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G423-0438?
Check Price and Availability of G423-0438, 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 G423-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G423-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G423-0438
  • 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 G423-0438 available by request