8014-5323 Screening compound: 11-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

8014-5323 Screening compound: 11-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
8014-5323 Screening compound: 11-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-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 8014-5323
11-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-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

8014-5323

Molecular Formula

C28H27FN2O4 (C28 H27 FN2 O4)

Compound Name

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

IUPAC name

10-(4-fluorophenyl)-14-(345-trimethoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

COc1cc(C(C2)CC(Nc(cccc3)c3NC3c(cc4)ccc4F)=C3C2=O)cc(OC)c1OC

InChI

InChI=1S/C28H27FN2O4/c1-33-24-14-18(15-25(34-2)28(24)35-3)17-12-22-26(23(32)13-17)27(16-8-10-19(29)11-9-16)31-21-7-5-4-6-20(21)30-22/h4-11,14-15,17,27,30-31H,12-13H2,1-3H3

InChI Key

WKPIJHNOWAJDJJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.845

Distribution Coefficient, logD

4.829

Water Solubility, LogSw

-4.62

Polar Surface Area

59.454

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8014-5323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5323?
Check Price and Availability of 8014-5323, 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 8014-5323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5323
  • 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 8014-5323 available by request