D337-1216 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

D337-1216 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
D337-1216 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-1216
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(trifluoromethyl)phenyl]-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

D337-1216

Molecular Formula

C19H13F3N2O4 (C19 H13 F3 N2 O4)

Compound Name

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(23-dihydro-14-benzodioxin-6-yl)-N-[2-(trifluoromethyl)phenyl]-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(-c(cc2)cc3c2OCCO3)c1)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C19H13F3N2O4/c20-19(21,22)12-3-1-2-4-13(12)23-18(25)14-10-16(28-24-14)11-5-6-15-17(9-11)27-8-7-26-15/h1-6,9-10H,7-8H2,(H,23,25)

InChI Key

FMHZHXFCAVEORU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08546960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.512

Distribution Coefficient, logD

3.512

Water Solubility, LogSw

-3.88

Polar Surface Area

59.990

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

-4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D337-1216 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D337-1216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-1216?
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What is the minimum amount of D337-1216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-1216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-1216
  • 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 D337-1216 available by request