3192-5304 Screening compound: 11-(3,4-difluorophenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3192-5304 Screening compound: 11-(3,4-difluorophenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3192-5304 Screening compound: 11-(3,4-difluorophenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3192-5304
11-(3,4-difluorophenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-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

3192-5304

Molecular Formula

C26H22F2N2O2 (C26 H22 F2 N2 O2)

Compound Name

11-(3,4-difluorophenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(34-difluorophenyl)-14-(4-methoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

COc1ccc(C(C2)CC(Nc(cccc3)c3NC3c(cc4)cc(F)c4F)=C3C2=O)cc1

InChI

InChI=1S/C26H22F2N2O2/c1-32-18-9-6-15(7-10-18)17-13-23-25(24(31)14-17)26(16-8-11-19(27)20(28)12-16)30-22-5-3-2-4-21(22)29-23/h2-12,17,26,29-30H,13-14H2,1H3

InChI Key

QSTWRMPTFOQGTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.812

Distribution Coefficient, logD

5.795

Water Solubility, LogSw

-5.55

Polar Surface Area

44.020

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.20

3192-5304 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3192-5304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3192-5304?
Check Price and Availability of 3192-5304, 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 3192-5304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3192-5304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3192-5304
  • 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 3192-5304 available by request