D491-9987 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-1,2-oxazole-3-carboxamide

D491-9987 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-1,2-oxazole-3-carboxamide
D491-9987 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9987
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{1-[(4-methylphenyl)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

D491-9987

Molecular Formula

C23H20N4O4 (C23 H20 N4 O4)

Compound Name

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

IUPAC name

5-(23-dihydro-14-benzodioxin-6-yl)-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-5-yl}-12-oxazole-3-carboxamide

SMILES

Cc1ccc(Cn2nccc2NC(c2noc(-c(cc3)cc4c3OCCO4)c2)=O)cc1

InChI

InChI=1S/C23H20N4O4/c1-15-2-4-16(5-3-15)14-27-22(8-9-24-27)25-23(28)18-13-20(31-26-18)17-6-7-19-21(12-17)30-11-10-29-19/h2-9,12-13H,10-11,14H2,1H3,(H,25,28)

InChI Key

MEZPTLDRZHCQTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09853143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.208

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.21

Polar Surface Area

75.121

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D491-9987 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Antimitotic Tubulin Library (17355 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
  • Immune system
  • Infections
  • Immune system
  • animal
  • 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D491-9987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9987?
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What is the minimum amount of D491-9987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9987
  • 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 D491-9987 available by request