D492-0111 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-1,2-oxazole-3-carboxamide

D492-0111 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-1,2-oxazole-3-carboxamide
D492-0111 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D492-0111
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-1,2-oxazole-3-carboxamide

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

D492-0111

Molecular Formula

C20H16N4O5 (C20 H16 N4 O5)

Compound Name

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-1,2-oxazole-3-carboxamide

IUPAC name

5-(23-dihydro-14-benzodioxin-6-yl)-N-{1-[(furan-2-yl)methyl]-1H-pyrazol-5-yl}-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(-c(cc2)cc3c2OCCO3)c1)Nc1ccnn1Cc1ccco1

InChI

InChI=1S/C20H16N4O5/c25-20(22-19-5-6-21-24(19)12-14-2-1-7-26-14)15-11-17(29-23-15)13-3-4-16-18(10-13)28-9-8-27-16/h1-7,10-11H,8-9,12H2,(H,22,25)

InChI Key

MATXDNXGSCCUFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18078142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.210

Distribution Coefficient, logD

2.210

Water Solubility, LogSw

-2.98

Polar Surface Area

82.870

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D492-0111 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Hsp90-Targeted Library (11355 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D492-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D492-0111?
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What is the minimum amount of D492-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D492-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D492-0111
  • 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 D492-0111 available by request