G651-0099 Screening compound: 3-(4-bromophenyl)-8-(2-methoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one

G651-0099 Screening compound: 3-(4-bromophenyl)-8-(2-methoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
G651-0099 Screening compound: 3-(4-bromophenyl)-8-(2-methoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G651-0099
3-(4-bromophenyl)-8-(2-methoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-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

G651-0099

Molecular Formula

C21H20BrN3O3 (C21 H20 BrN3 O3)

Compound Name

3-(4-bromophenyl)-8-(2-methoxybenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one

IUPAC name

3-(4-bromophenyl)-8-(2-methoxybenzoyl)-148-triazaspiro[4.5]dec-3-en-2-one

SMILES

COc(cccc1)c1C(N(CC1)CCC1(NC1=O)N=C1c(cc1)ccc1Br)=O

InChI

InChI=1S/C21H20BrN3O3/c1-28-17-5-3-2-4-16(17)20(27)25-12-10-21(11-13-25)23-18(19(26)24-21)14-6-8-15(22)9-7-14/h2-9H,10-13H2,1H3,(H,24,26)

InChI Key

LYGFSNNSGXYXPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15026052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.626

Distribution Coefficient, logD

2.621

Water Solubility, LogSw

-3.40

Polar Surface Area

57.868

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G651-0099 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G651-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G651-0099?
Check Price and Availability of G651-0099, 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 G651-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G651-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G651-0099
  • 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 G651-0099 available by request