G389-0799 Screening compound: methyl 7-[(3-bromophenyl)methyl]-6-{[(2-methoxyphenyl)methyl]carbamoyl}-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate

G389-0799 Screening compound: methyl 7-[(3-bromophenyl)methyl]-6-{[(2-methoxyphenyl)methyl]carbamoyl}-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylate
G389-0799 Screening compound: methyl 7-[(3-bromophenyl)methyl]-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 G389-0799
methyl 7-[(3-bromophenyl)methyl]-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

G389-0799

Molecular Formula

C25H25BrN4O5 (C25 H25 BrN4 O5)

Compound Name

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

IUPAC name

methyl 7-[(3-bromophenyl)methyl]-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(Cc1cccc(Br)c1)C2=O

InChI

InChI=1S/C25H25BrN4O5/c1-25(24(33)27-12-17-8-4-5-10-19(17)34-2)14-29-15-28-20(23(32)35-3)21(29)22(31)30(25)13-16-7-6-9-18(26)11-16/h4-11,15H,12-14H2,1-3H3,(H,27,33)/t25-/m0/s1

InChI Key

XNGQQKPTEOTCAZ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27138479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.297

Distribution Coefficient, logD

3.297

Water Solubility, LogSw

-3.50

Polar Surface Area

80.489

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

G389-0799 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Cyclic Ugi PPI Library (9586 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G389-0799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G389-0799?
Check Price and Availability of G389-0799, 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 G389-0799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G389-0799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G389-0799
  • 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 G389-0799 available by request