3096-0204 Screening compound: 7-benzoyl-11-(2,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3096-0204 Screening compound: 7-benzoyl-11-(2,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3096-0204 Screening compound: 7-benzoyl-11-(2,4-dimethoxyphenyl)-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 3096-0204
7-benzoyl-11-(2,4-dimethoxyphenyl)-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

3096-0204

Molecular Formula

C28H26N2O4 (C28 H26 N2 O4)

Compound Name

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

IUPAC name

5-benzoyl-10-(24-dimethoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

COc1cc(OC)c(C2Nc(ccc(C(c3ccccc3)=O)c3)c3NC(CCC3)=C2C3=O)cc1

InChI

InChI=1S/C28H26N2O4/c1-33-19-12-13-20(25(16-19)34-2)27-26-22(9-6-10-24(26)31)29-23-15-18(11-14-21(23)30-27)28(32)17-7-4-3-5-8-17/h3-5,7-8,11-16,27,29-30H,6,9-10H2,1-2H3/t27-/m0/s1

InChI Key

BMWOVLUZRQKWAA-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02086181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.215

Distribution Coefficient, logD

5.194

Water Solubility, LogSw

-5.08

Polar Surface Area

65.389

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

3096-0204 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3096-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3096-0204?
Check Price and Availability of 3096-0204, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3096-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3096-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3096-0204
  • 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 3096-0204 available by request