8014-2854 Screening compound: 2-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-6-ethoxyphenol

8014-2854 Screening compound: 2-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-6-ethoxyphenol
8014-2854 Screening compound: 2-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-6-ethoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2854
2-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-6-ethoxyphenol

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

8014-2854

Molecular Formula

C24H28N2O4 (C24 H28 N2 O4)

Compound Name

2-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-6-ethoxyphenol

IUPAC name

2-{1213-diethoxy-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(14)351012-pentaen-7-yl}-6-ethoxyphenol

SMILES

CCOc1cccc(C(c2cccn2-c2c3)NCc2cc(OCC)c3OCC)c1O

InChI

InChI=1S/C24H28N2O4/c1-4-28-20-11-7-9-17(24(20)27)23-18-10-8-12-26(18)19-14-22(30-6-3)21(29-5-2)13-16(19)15-25-23/h7-14,23,25,27H,4-6,15H2,1-3H3/t23-/m0/s1

InChI Key

GENKECVRPZLRAE-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD03768735

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.731

Distribution Coefficient, logD

-0.716

Water Solubility, LogSw

-3.76

Polar Surface Area

51.155

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

12.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8014-2854 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8014-2854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2854?
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What is the minimum amount of 8014-2854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2854
  • 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 8014-2854 available by request