3705-5819 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate

3705-5819 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate
3705-5819 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3705-5819
4-[3-(3,4-dimethoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate

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

3705-5819

Molecular Formula

C29H28N2O5 (C29 H28 N2 O5)

Compound Name

4-[3-(3,4-dimethoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl acetate

IUPAC name

4-[14-(34-dimethoxyphenyl)-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-10-yl]phenyl acetate

SMILES

CC(Oc1ccc(C2Nc(cccc3)c3NC(CC(C3)c(cc4)cc(OC)c4OC)=C2C3=O)cc1)=O

InChI

InChI=1S/C29H28N2O5/c1-17(32)36-21-11-8-18(9-12-21)29-28-24(30-22-6-4-5-7-23(22)31-29)14-20(15-25(28)33)19-10-13-26(34-2)27(16-19)35-3/h4-13,16,20,29-31H,14-15H2,1-3H3

InChI Key

LCJJNZUNALVNOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02104984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.253

Distribution Coefficient, logD

4.236

Water Solubility, LogSw

-4.48

Polar Surface Area

72.489

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with 3705-5819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3705-5819?
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What is the minimum amount of 3705-5819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3705-5819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3705-5819
  • 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 3705-5819 available by request