G423-0629 Screening compound: 4-[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-(propan-2-yl)butanamide

G423-0629 Screening compound: 4-[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-(propan-2-yl)butanamide
G423-0629 Screening compound: 4-[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-(propan-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G423-0629
4-[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-(propan-2-yl)butanamide

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

G423-0629

Molecular Formula

C21H27N5O3 (C21 H27 N5 O3)

Compound Name

4-[7-(4-ethoxyphenyl)-8-oxo-7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-(propan-2-yl)butanamide

IUPAC name

4-[7-(4-ethoxyphenyl)-8-oxo-7H8H-[124]triazolo[43-a]pyrazin-3-yl]-3-methyl-N-(propan-2-yl)butanamide

SMILES

CCOc(cc1)ccc1N(C=Cn1c2nnc1CC(C)CC(NC(C)C)=O)C2=O

InChI

InChI=1S/C21H27N5O3/c1-5-29-17-8-6-16(7-9-17)25-10-11-26-18(23-24-20(26)21(25)28)12-15(4)13-19(27)22-14(2)3/h6-11,14-15H,5,12-13H2,1-4H3,(H,22,27)/t15-/m1/s1

InChI Key

RYEPMPRQRCXKKM-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27140675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.509

Distribution Coefficient, logD

1.509

Water Solubility, LogSw

-2.16

Polar Surface Area

69.937

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

-4.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

G423-0629 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G423-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G423-0629?
Check Price and Availability of G423-0629, 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 G423-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G423-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G423-0629
  • 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 G423-0629 available by request