G389-0713 Screening compound: methyl 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{[(2-methoxyphenyl)methyl]carbamoyl}-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate

G389-0713 Screening compound: methyl 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{[(2-methoxyphenyl)methyl]carbamoyl}-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate
G389-0713 Screening compound: methyl 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{[(2-methoxyphenyl)methyl]carbamoyl}-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G389-0713
methyl 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{[(2-methoxyphenyl)methyl]carbamoyl}-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[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

G389-0713

Molecular Formula

C26H26N4O7 (C26 H26 N4 O7)

Compound Name

methyl 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{[(2-methoxyphenyl)methyl]carbamoyl}-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate

IUPAC name

methyl 7-(23-dihydro-14-benzodioxin-6-yl)-6-{[(2-methoxyphenyl)methyl]carbamoyl}-6-methyl-8-oxo-5H6H7H8H-imidazo[15-a]pyrazine-1-carboxylate

SMILES

CC(Cn1c2c(C(OC)=O)nc1)(C(NCc(cccc1)c1OC)=O)N(c(cc1)cc3c1OCCO3)C2=O

InChI

InChI=1S/C26H26N4O7/c1-26(25(33)27-13-16-6-4-5-7-18(16)34-2)14-29-15-28-21(24(32)35-3)22(29)23(31)30(26)17-8-9-19-20(12-17)37-11-10-36-19/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,27,33)/t26-/m0/s1

InChI Key

MNNQFIFIDBAPCW-SANMLTNESA-N

MDL Number (MFCD)

MFCD15007144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.186

Distribution Coefficient, logD

1.186

Water Solubility, LogSw

-2.28

Polar Surface Area

95.701

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

G389-0713 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with G389-0713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G389-0713?
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What is the minimum amount of G389-0713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G389-0713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G389-0713
  • 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 G389-0713 available by request