3027-0025 Screening compound: 5H-dibenzo[b,f]azepin-5-yl(3,4,5-trimethoxyphenyl)methanone

3027-0025 Screening compound: 5H-dibenzo[b,f]azepin-5-yl(3,4,5-trimethoxyphenyl)methanone
3027-0025 Screening compound: 5H-dibenzo[b,f]azepin-5-yl(3,4,5-trimethoxyphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 3027-0025
5H-dibenzo[b,f]azepin-5-yl(3,4,5-trimethoxyphenyl)methanone

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

3027-0025

Molecular Formula

C24H21NO4 (C24 H21 NO4)

Compound Name

5H-dibenzo[b,f]azepin-5-yl(3,4,5-trimethoxyphenyl)methanone

IUPAC name

2-(345-trimethoxybenzoyl)-2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene

SMILES

COc1cc(C(N2c(cccc3)c3C=Cc3c2cccc3)=O)cc(OC)c1OC

InChI

InChI=1S/C24H21NO4/c1-27-21-14-18(15-22(28-2)23(21)29-3)24(26)25-19-10-6-4-8-16(19)12-13-17-9-5-7-11-20(17)25/h4-15H,1-3H3

InChI Key

ZYIYSXNPQNOIDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01806594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.268

Distribution Coefficient, logD

4.268

Water Solubility, LogSw

-4.42

Polar Surface Area

37.179

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3027-0025 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 3027-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3027-0025?
Check Price and Availability of 3027-0025, 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 3027-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3027-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3027-0025
  • 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 3027-0025 available by request