8003-0146 Screening compound: 9-bromo-5-phenyl-1,3-dihydro-2H-[1]benzofuro[3,2-e][1,4]diazepin-2-one

8003-0146 Screening compound: 9-bromo-5-phenyl-1,3-dihydro-2H-[1]benzofuro[3,2-e][1,4]diazepin-2-one
8003-0146 Screening compound: 9-bromo-5-phenyl-1,3-dihydro-2H-[1]benzofuro[3,2-e][1,4]diazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0146
9-bromo-5-phenyl-1,3-dihydro-2H-[1]benzofuro[3,2-e][1,4]diazepin-2-one

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

8003-0146

Molecular Formula

C17H11BrN2O2 (C17 H11 BrN2 O2)

Compound Name

9-bromo-5-phenyl-1,3-dihydro-2H-[1]benzofuro[3,2-e][1,4]diazepin-2-one

IUPAC name

4-bromo-10-phenyl-8-oxa-1114-diazatricyclo[7.5.0.0^{27}]tetradeca-1(9)24610-pentaen-13-one

SMILES

O=C(CN=C1c2ccccc2)Nc2c1oc(cc1)c2cc1Br

InChI

InChI=1S/C17H11BrN2O2/c18-11-6-7-13-12(8-11)16-17(22-13)15(19-9-14(21)20-16)10-4-2-1-3-5-10/h1-8H,9H2,(H,20,21)

InChI Key

DJMHJHDYEXNPEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00408078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.564

Distribution Coefficient, logD

3.564

Water Solubility, LogSw

-3.76

Polar Surface Area

39.277

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

8003-0146 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8003-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0146?
Check Price and Availability of 8003-0146, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8003-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0146
  • 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 8003-0146 available by request