8014-5305 Screening compound: 11-(4-bromophenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

8014-5305 Screening compound: 11-(4-bromophenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
8014-5305 Screening compound: 11-(4-bromophenyl)-3-(4-methylphenyl)-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 8014-5305
11-(4-bromophenyl)-3-(4-methylphenyl)-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

8014-5305

Molecular Formula

C26H23BrN2O (C26 H23 BrN2 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(C2)CC(Nc(cccc3)c3NC3c(cc4)ccc4Br)=C3C2=O)cc1

InChI

InChI=1S/C26H23BrN2O/c1-16-6-8-17(9-7-16)19-14-23-25(24(30)15-19)26(18-10-12-20(27)13-11-18)29-22-5-3-2-4-21(22)28-23/h2-13,19,26,28-29H,14-15H2,1H3

InChI Key

YNXSWOAGWVNLJZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.534

Distribution Coefficient, logD

6.518

Water Solubility, LogSw

-5.75

Polar Surface Area

36.477

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 8014-5305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5305?
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What is the minimum amount of 8014-5305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5305
  • 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 8014-5305 available by request