8014-2270 Screening compound: 5-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-fluorophenyl methyl ether

8014-2270 Screening compound: 5-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-fluorophenyl methyl ether
8014-2270 Screening compound: 5-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-fluorophenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2270
5-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-fluorophenyl methyl ether

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

8014-2270

Molecular Formula

C23H25FN2O3 (C23 H25 FN2 O3)

Compound Name

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

IUPAC name

1213-diethoxy-7-(4-fluoro-3-methoxyphenyl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(14)351012-pentaene

SMILES

CCOc(c(OCC)c1)cc(CNC2c(cc3)cc(OC)c3F)c1-n1c2ccc1

InChI

InChI=1S/C23H25FN2O3/c1-4-28-21-12-16-14-25-23(15-8-9-17(24)20(11-15)27-3)18-7-6-10-26(18)19(16)13-22(21)29-5-2/h6-13,23,25H,4-5,14H2,1-3H3/t23-/m1/s1

InChI Key

AGRIWUOLHCLZRR-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03768227

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

396.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.696

Distribution Coefficient, logD

-0.641

Water Solubility, LogSw

-4.00

Polar Surface Area

36.096

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

11.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

8014-2270 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8014-2270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2270?
Check Price and Availability of 8014-2270, 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 8014-2270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2270
  • 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 8014-2270 available by request