C082-0699 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

C082-0699 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide
C082-0699 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C082-0699
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-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

C082-0699

Molecular Formula

C17H14N2O5 (C17 H14 N2 O5)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-(2-oxo-23-dihydro-13-benzoxazol-3-yl)acetamide

SMILES

O=C(CN(c(cccc1)c1O1)C1=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C17H14N2O5/c20-16(10-19-12-3-1-2-4-13(12)24-17(19)21)18-11-5-6-14-15(9-11)23-8-7-22-14/h1-6,9H,7-8,10H2,(H,18,20)

InChI Key

KCCDGKPUSFAIJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.577

Distribution Coefficient, logD

1.577

Water Solubility, LogSw

-2.33

Polar Surface Area

62.039

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C082-0699 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C082-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C082-0699?
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What is the minimum amount of C082-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C082-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C082-0699
  • 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 C082-0699 available by request