4582-0070 Screening compound: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(2,2,4-trimethyl-1,2-dihydro-6-quinolinyl)oxy]-1-ethanone

4582-0070 Screening compound: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(2,2,4-trimethyl-1,2-dihydro-6-quinolinyl)oxy]-1-ethanone
4582-0070 Screening compound: 1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(2,2,4-trimethyl-1,2-dihydro-6-quinolinyl)oxy]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4582-0070
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(2,2,4-trimethyl-1,2-dihydro-6-quinolinyl)oxy]-1-ethanone

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

4582-0070

Molecular Formula

C28H28N2O2 (C28 H28 N2 O2)

Compound Name

1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-[(2,2,4-trimethyl-1,2-dihydro-6-quinolinyl)oxy]-1-ethanone

IUPAC name

1-{2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-2-yl}-2-[(224-trimethyl-12-dihydroquinolin-6-yl)oxy]ethan-1-one

SMILES

CC1(C)Nc(ccc(OCC(N(c2c(CC3)cccc2)c2c3cccc2)=O)c2)c2C(C)=C1

InChI

InChI=1S/C28H28N2O2/c1-19-17-28(2,3)29-24-15-14-22(16-23(19)24)32-18-27(31)30-25-10-6-4-8-20(25)12-13-21-9-5-7-11-26(21)30/h4-11,14-17,29H,12-13,18H2,1-3H3

InChI Key

LWKRWEJLRQDWGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03103708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.251

Distribution Coefficient, logD

6.251

Water Solubility, LogSw

-5.49

Polar Surface Area

32.371

Acid Dissociation Constant (pKa)

18.06

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4582-0070 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4582-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4582-0070?
Check Price and Availability of 4582-0070, 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 4582-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4582-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4582-0070
  • 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 4582-0070 available by request