3490-5560 Screening compound: 3-(3,4-dimethoxyphenyl)-11-(2,3,4-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3490-5560 Screening compound: 3-(3,4-dimethoxyphenyl)-11-(2,3,4-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3490-5560 Screening compound: 3-(3,4-dimethoxyphenyl)-11-(2,3,4-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 3490-5560
3-(3,4-dimethoxyphenyl)-11-(2,3,4-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

3490-5560

Molecular Formula

C30H32N2O6 (C30 H32 N2 O6)

Compound Name

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

IUPAC name

14-(34-dimethoxyphenyl)-10-(234-trimethoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

COc(ccc(C(C1)CC(Nc(cccc2)c2NC2c(ccc(OC)c3OC)c3OC)=C2C1=O)c1)c1OC

InChI

InChI=1S/C30H32N2O6/c1-34-24-12-10-17(16-26(24)36-3)18-14-22-27(23(33)15-18)28(32-21-9-7-6-8-20(21)31-22)19-11-13-25(35-2)30(38-5)29(19)37-4/h6-13,16,18,28,31-32H,14-15H2,1-5H3

InChI Key

VZOCSQVGRSYATM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02104322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.780

Distribution Coefficient, logD

4.764

Water Solubility, LogSw

-4.61

Polar Surface Area

74.802

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 3490-5560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3490-5560?
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What is the minimum amount of 3490-5560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3490-5560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3490-5560
  • 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 3490-5560 available by request