7682-0227 Screening compound: 3-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

7682-0227 Screening compound: 3-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
7682-0227 Screening compound: 3-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7682-0227
3-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-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

7682-0227

Molecular Formula

C19H15FN2O (C19 H15 FN2 O)

Compound Name

3-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

14-(4-fluorophenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)469-pentaen-12-one

SMILES

O=C(CC(C1)c(cc2)ccc2F)C2=C1Nc(cccc1)c1N=C2

InChI

InChI=1S/C19H15FN2O/c20-14-7-5-12(6-8-14)13-9-18-15(19(23)10-13)11-21-16-3-1-2-4-17(16)22-18/h1-8,11,13,22H,9-10H2/t13-/m1/s1

InChI Key

MMRYKQYJCSVKLC-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD06192266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.865

Distribution Coefficient, logD

3.854

Water Solubility, LogSw

-4.16

Polar Surface Area

33.633

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

7682-0227 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7682-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7682-0227?
Check Price and Availability of 7682-0227, 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 7682-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7682-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7682-0227
  • 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 7682-0227 available by request