G389-0518 Screening compound: methyl 7-allyl-6-[(benzylamino)carbonyl]-6-methyl-8-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate

G389-0518 Screening compound: methyl 7-allyl-6-[(benzylamino)carbonyl]-6-methyl-8-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate
G389-0518 Screening compound: methyl 7-allyl-6-[(benzylamino)carbonyl]-6-methyl-8-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G389-0518
methyl 7-allyl-6-[(benzylamino)carbonyl]-6-methyl-8-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate

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

G389-0518

Molecular Formula

C20H22N4O4 (C20 H22 N4 O4)

Compound Name

methyl 7-allyl-6-[(benzylamino)carbonyl]-6-methyl-8-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylate

IUPAC name

methyl 6-(benzylcarbamoyl)-6-methyl-8-oxo-7-(prop-2-en-1-yl)-5H6H7H8H-imidazo[15-a]pyrazine-1-carboxylate

SMILES

CC(Cn1c2c(C(OC)=O)nc1)(C(NCc1ccccc1)=O)N(CC=C)C2=O

InChI

InChI=1S/C20H22N4O4/c1-4-10-24-17(25)16-15(18(26)28-3)22-13-23(16)12-20(24,2)19(27)21-11-14-8-6-5-7-9-14/h4-9,13H,1,10-12H2,2-3H3,(H,21,27)/t20-/m0/s1

InChI Key

NIAZOQIDVVBANF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27138429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.248

Distribution Coefficient, logD

1.248

Water Solubility, LogSw

-1.89

Polar Surface Area

73.109

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

G389-0518 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others

References: we are preparing a list of scientific research reports with G389-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G389-0518?
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What is the minimum amount of G389-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G389-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G389-0518
  • 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 G389-0518 available by request