G353-0176 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamide

G353-0176 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamide
G353-0176 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G353-0176
N-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-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

G353-0176

Molecular Formula

C24H18FN3O4 (C24 H18 FN3 O4)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)-2-oxo-23-dihydro-1H-15-benzodiazepin-1-yl]acetamide

SMILES

O=C(CN(c(cccc1)c1N=C(C1)c(cc2)ccc2F)C1=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C24H18FN3O4/c25-16-7-5-15(6-8-16)19-12-24(30)28(20-4-2-1-3-18(20)27-19)13-23(29)26-17-9-10-21-22(11-17)32-14-31-21/h1-11H,12-14H2,(H,26,29)

InChI Key

OLGQCHPQUHTSAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15000834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.913

Distribution Coefficient, logD

3.913

Water Solubility, LogSw

-4.27

Polar Surface Area

64.855

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G353-0176 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G353-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G353-0176?
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What is the minimum amount of G353-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G353-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G353-0176
  • 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 G353-0176 available by request