5492-3914 Screening compound: 7-benzoyl-11-(2,3,4-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

5492-3914 Screening compound: 7-benzoyl-11-(2,3,4-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
5492-3914 Screening compound: 7-benzoyl-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 5492-3914
7-benzoyl-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

5492-3914

Molecular Formula

C29H28N2O5 (C29 H28 N2 O5)

Compound Name

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

IUPAC name

5-benzoyl-10-(234-trimethoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

COc(ccc(C1Nc(ccc(C(c2ccccc2)=O)c2)c2NC(CCC2)=C1C2=O)c1OC)c1OC

InChI

InChI=1S/C29H28N2O5/c1-34-24-15-13-19(28(35-2)29(24)36-3)26-25-21(10-7-11-23(25)32)30-22-16-18(12-14-20(22)31-26)27(33)17-8-5-4-6-9-17/h4-6,8-9,12-16,26,30-31H,7,10-11H2,1-3H3/t26-/m0/s1

InChI Key

QFERXTTZTIKPGK-SANMLTNESA-N

MDL Number (MFCD)

MFCD05031088

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

5.037

Distribution Coefficient, logD

5.016

Water Solubility, LogSw

-4.79

Polar Surface Area

73.280

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

5492-3914 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5492-3914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5492-3914?
Check Price and Availability of 5492-3914, 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 5492-3914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5492-3914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5492-3914
  • 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 5492-3914 available by request