8011-3223 Screening compound: 11-(4-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

8011-3223 Screening compound: 11-(4-nitrophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
8011-3223 Screening compound: 11-(4-nitrophenyl)-3-phenyl-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 8011-3223
11-(4-nitrophenyl)-3-phenyl-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

8011-3223

Molecular Formula

C25H21N3O3 (C25 H21 N3 O3)

Compound Name

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

IUPAC name

10-(4-nitrophenyl)-14-phenyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

[O-][N+](c1ccc(C2Nc(cccc3)c3NC(CC(C3)c4ccccc4)=C2C3=O)cc1)=O

InChI

InChI=1S/C25H21N3O3/c29-23-15-18(16-6-2-1-3-7-16)14-22-24(23)25(17-10-12-19(13-11-17)28(30)31)27-21-9-5-4-8-20(21)26-22/h1-13,18,25-27H,14-15H2

InChI Key

MRSJSBXNVZZELH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.207

Distribution Coefficient, logD

5.191

Water Solubility, LogSw

-5.30

Polar Surface Area

69.858

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 8011-3223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-3223?
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What is the minimum amount of 8011-3223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-3223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-3223
  • 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 8011-3223 available by request