G610-0018 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-bromophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]acetamide

G610-0018 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-bromophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]acetamide
G610-0018 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-bromophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G610-0018
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-bromophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]acetamide

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

G610-0018

Molecular Formula

C23H23BrN4O4 (C23 H23 BrN4 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-bromophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[2-(4-bromophenyl)-3-oxo-148-triazaspiro[4.5]dec-1-en-8-yl]acetamide

SMILES

O=C(CN(CC1)CCC1(NC1=O)N=C1c(cc1)ccc1Br)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C23H23BrN4O4/c24-17-4-2-16(3-5-17)21-22(30)27-23(26-21)7-9-28(10-8-23)13-20(29)25-12-15-1-6-18-19(11-15)32-14-31-18/h1-6,11H,7-10,12-14H2,(H,25,29)(H,27,30)

InChI Key

RRWNQFDRLKRWCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27146203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.084

Distribution Coefficient, logD

2.900

Water Solubility, LogSw

-3.33

Polar Surface Area

78.909

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G610-0018 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G610-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G610-0018?
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What is the minimum amount of G610-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G610-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G610-0018
  • 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 G610-0018 available by request