8019-3329 Screening compound: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide

8019-3329 Screening compound: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
8019-3329 Screening compound: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3329
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-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

8019-3329

Molecular Formula

C11H13NO3 (C11 H13 NO3)

Compound Name

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide

IUPAC name

2-(34-dihydro-2H-15-benzodioxepin-7-yl)acetamide

SMILES

NC(Cc(cc1)cc2c1OCCCO2)=O

InChI

InChI=1S/C11H13NO3/c12-11(13)7-8-2-3-9-10(6-8)15-5-1-4-14-9/h2-3,6H,1,4-5,7H2,(H2,12,13)

InChI Key

JWNIUACERQGKGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

207.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.116

Distribution Coefficient, logD

0.116

Water Solubility, LogSw

-1.49

Polar Surface Area

49.780

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

8019-3329 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8019-3329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3329?
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What is the minimum amount of 8019-3329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3329
  • 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 8019-3329 available by request