8014-8717 Screening compound: 2-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-6-ethoxyphenol

8014-8717 Screening compound: 2-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-6-ethoxyphenol
8014-8717 Screening compound: 2-(5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-6-ethoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8717
2-(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

8014-8717

Molecular Formula

C20H20N2O2 (C20 H20 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1C2NCc(cccc3)c3-n3c2ccc3)c1O

InChI

InChI=1S/C20H20N2O2/c1-2-24-18-11-5-8-15(20(18)23)19-17-10-6-12-22(17)16-9-4-3-7-14(16)13-21-19/h3-12,19,21,23H,2,13H2,1H3/t19-/m1/s1

InChI Key

VKGYRFKOXCRQAY-LJQANCHMSA-N

MDL Number (MFCD)

MFCD03820563

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

320.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.779

Distribution Coefficient, logD

0.518

Water Solubility, LogSw

-3.81

Polar Surface Area

36.734

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

11.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8014-8717 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 8014-8717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8717?
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What is the minimum amount of 8014-8717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8717
  • 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 8014-8717 available by request