8013-2728 Screening compound: 11-(4-ethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

8013-2728 Screening compound: 11-(4-ethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
8013-2728 Screening compound: 11-(4-ethoxyphenyl)-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 8013-2728
11-(4-ethoxyphenyl)-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

8013-2728

Molecular Formula

C30H32N2O5 (C30 H32 N2 O5)

Compound Name

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

SMILES

CCOc1ccc(C2Nc(cccc3)c3NC(CC(C3)c(cc4OC)cc(OC)c4OC)=C2C3=O)cc1

InChI

InChI=1S/C30H32N2O5/c1-5-37-21-12-10-18(11-13-21)29-28-24(31-22-8-6-7-9-23(22)32-29)14-19(15-25(28)33)20-16-26(34-2)30(36-4)27(17-20)35-3/h6-13,16-17,19,29,31-32H,5,14-15H2,1-4H3

InChI Key

JZOXXKYQJHQKSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.185

Distribution Coefficient, logD

5.168

Water Solubility, LogSw

-4.99

Polar Surface Area

66.578

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 8013-2728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2728?
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What is the minimum amount of 8013-2728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2728
  • 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 8013-2728 available by request